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Articles in press have been peer-reviewed and accepted, which are not yet assigned to volumes/issues, but are citable by Digital Object Identifier (DOI).
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Engineered Mo-O-Fe active centers for Efficient and Stable Overall Water Splitting along the Lattice-Oxygen Mechanism
Jinqiu Shi, Min Wang, Luwei Peng, Xi Luo, Jiajun Meng, Jianfeng Xu, Jinli Qiao
, Available online  , doi: 10.1016/j.gee.2026.03.015
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The covalency of the metal-oxygen (M-O) bond is significantly enhanced in the transition metal sites with high oxidation states, thereby enabling the lattice oxygen-mediated mechanism (LOM) to break the traditional linear scaling limitations of the oxygen evolution reaction (OER). Here, an innovative MoO2 surface is designed to adjust the covalency of Fe-O bond in NiFe layered double hydroxide (NiFe-LDH), which results in the formation of Fe-O-Mo bridge with high valence Fe species for OER along the LOM. The MoO2-modified NiFe-LDH anchored on nickel foam, shows a 3D nanoflower-like heterostructure of interwoven porous nanosheets, which exposes abundant active sites, boosts charge transfer, and modulates the reaction microenvironment via heterojunction and confinement effects. This designed architecture shows excellent bifunctional catalytic activity, manifested by low overpotentials for HER (131 mV) and OER (226 mV) at 10 mA cm-2, respectively. The overall water electrolyzer verifies the device-level application potential assembled with MoO2/NiFe-LDH@NF as both cathode and anode, and achieves a low cell voltage of 1.650 V at 0.5 A cm-2 and stable operation for over 700 hours.
Defect-Engineered MOF-Derived NiCu@C Catalysts: Cu-induced Ni Particle Size Modulation for Selective Transfer Hydrogenation of HMF
Meng Wen, Xi-Yu Xu, Zhi-Ping Zhao
, Available online  , doi: 10.1016/j.gee.2026.04.001
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Regulation of the selective hydrogenation of 5-hydroxymethylfurfural (HMF) is crucial for the targeted valorization of biomass resources. Herein, a dual-defect engineering strategy termed “cooperative evolution of ligand and metal-node defects” was adopted to directionally derive carbon-shell-encapsulated NiCu@C catalysts from MOFs by sequentially introducing 3,5-dinitrosalicylic acid (DNS) ligand vacancies and metal-node defects (Cu species), enabling hydrogen-free selective hydrogenation of HMF. Meanwhile, Cu incorporation generates oxygen vacancies, and enables precise tuning of Ni diameter (10.07∼13.75 nm) and carbon-shell thickness (0.81∼2.32 nm), achieving cooperative optimization among defects, particle size, and shell dimensions. Research reveals that Ni particle size serves as the dominant factor in regulating HMF hydrogenation selectivity, which synergizes with secondary factors including defect density and shell thickness to enable efficient HMF conversion. At 0.2 mol/L HMF, a maximum yield of 99% DMF or 70% BHMF can be achieved by regulating the catalyst and reaction system. Kinetic investigations reveal that increasing particle size kinetically favors C=C hydrogenation, steering selectivity toward BHMF, whereas size reduction exclusively drives C=O hydrogenation with high yield and pinpoint DMF formation, thereby establishing a quantitative “size-pathway-product” correlation. Besides, a novel correction function was proposed to refine the kinetic model. Finally, the intrinsic active sites of catalysts with different particle sizes were correlated with DMF yield, and the reaction pathway of HMF hydrogenation over NiCu0.05@C-1 was verified.
Gas Diffusion Electrodes for Sustainable Energy Conversion and Chemical Synthesis
Yu Zhang, Jie Li, Panyong Kuang, Jiaguo Yu, Qian Sun, Zhenhai Wen
, Available online  , doi: 10.1016/j.gee.2026.03.014
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Gas diffusion electrodes (GDEs) are emerging as a transformative platform for electrochemical energy conversion and sustainable chemical synthesis. By enabling efficient electrochemical reactions involving gaseous species, such as CO2, CO, N2, O2, and H2, at well-defined gas-liquid-solid interfaces, GDEs fundamentally overcome the intrinsic mass-transport constraints inherent to conventional aqueous electrodes, thereby enabling industrially relevant current densities unattainable in traditional configurations. Structurally, GDEs integrate a functional catalyst layer with a porous gas diffusion layer (GDL), allowing continuous and regulated delivery of gaseous reactants to active sites while stabilizing three-phase interfaces and tailoring local reaction microenvironments. These features collectively enhance reaction kinetics, product selectivity, and energy efficiency across diverse applications, including CO2 electroreduction, water electrolysis, fuel cells, and electrochemical H2O2 synthesis. This Perspective provides a critical analysis of recent progress in GDE materials, architectures, and interface engineering, with an emphasis on uncovering the mechanistic foundations of their operation. On this basis, we highlight unresolved challenges and propose emerging design principles aimed at realizing adaptive, durable, and scalable GDE platforms. We further discuss key research directions necessary to translate fundamental advances into practical, industrially relevant electrochemical technologies that support a carbon-neutral energy and chemical economy.
Data driven intelligent research and development of gel electrolyte: methods, challenges and cutting-edge trends
Yuanchuan Ren, Renjie Huang, Shiyong Zhao, Xuejun Zhu, Yuhang Lin, Tingfeng Su, Cheng Wang, Nanqi Ren
, Available online  , doi: 10.1016/j.gee.2026.03.027
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As the core component of flexible energy storage and electronic devices, the research and development of gel electrolyte has long been limited by the inefficiency of the traditional trial and error method in exploring the complex component structure performance relationship. The data-driven intelligent research and development paradigm is leading the field towards a rational acceleration stage of design validation by integrating high-throughput experiments, multi-scale computing, and artificial intelligence technology. This review systematically elaborates on the core methods, key challenges, and cutting-edge trends of this paradigm. At the methodological level, we focused on the construction of standardized databases (integrating literature data, high-throughput experiments, and molecular simulations), the establishment and application of machine learning models (such as graph neural networks for quantitative structure-activity relationship prediction and generative models for reverse engineering), and a closed-loop experimental design strategy centered on Bayesian optimization, aiming to synergistically optimize multiple properties such as ion conductivity, mechanical strength, and electrochemical window. The article deeply analyzes the core challenges currently faced, including the scarcity and heterogeneity of high-quality data, the lack of interpretability of complex models leading to difficulties in analyzing physical and chemical mechanisms, and the limitations of model migration and generalization between different electrolyte systems and performance indicators. Finally, we look forward to the cutting-edge development trends, including the cross scale prediction model integrating multi-scale simulation and experimental data, the autonomous laboratory to realize the automation of the whole process of design synthesis characterization optimization, and the construction of gel electrolyte digital twins to achieve life-cycle performance monitoring and optimization. The purpose of this review is to provide a clear roadmap for researchers in the cross field of materials science, electrochemistry and data science, and promote the research and development of gel electrolyte into a new era with data and intelligence as the core driving force.
Unlocking lattice oxygen mediation in a multi-functional electrocatalyst for concurrent energy-efficient electrooxidation and hydrogen evolution
Ting Li, Xiao Hu Wang, Xiao Hui Chen, Chen Yu Yang, Qi Xiao, Hong Qun Luo, Nian Bing Li
, Available online  , doi: 10.1016/j.gee.2026.03.026
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The lattice oxygen-mediated mechanism (LOM) offers a promising pathway to break the scaling relations limit of the conventional adsorbate evolution mechanism (AEM), presenting a general strategy for enhancing the kinetics of not only the oxygen evolution reaction (OER) but also a wide range of other electrooxidation reactions. This is because the LOM can activate electrophilic oxygen species, which are capable of efficiently attacking chemical bonds. However, the electronic structure tailored for activating lattice oxygen often renders the catalyst surface incompatible with the adsorption/desorption of hydrogen intermediates, posing a fundamental dilemma for developing versatile electrocatalysts. This study constructs an all-in-one electrocatalyst using an in-situ corrosion (CoRu-Cu2O/CF). The dopant of Ru activates lattice oxygen, leading to the transformations of the OER mechanism from AEM to LOM, which is boosting OER. Simultaneously, the LOM-based catalyst demonstrates notable advantages in other electrooxidation of 5-hydroxymethylfurfural, urea, methanol, hydrazine, and ammonia. And the introduction of Ru can enhance the adsorption capability of H intermediates, benefiting the HER. This work presents a strategy that successfully achieves compatibility between the LOM mechanism and H adsorption/desorption equilibrium, offering a scalable approach in the water electrolysis, direct methanol fuel cells, direct ammonia fuel cells, and the electrosynthesis or degradation of organic compounds.
Ni–Mo Interfacial Electronic Transfer and Acid-Site Coupling Drive Carbon-Backbone-Retentive Hydrodeoxygenation of Fatty Acid Esters under Mild Conditions
Zihang Wang, Yujing Wu, Jinliang Yan, Zhiyu Li, Hui Zhou, Peng Fu
, Available online  , doi: 10.1016/j.gee.2026.03.023
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Biodiesel, a renewable and carbon-neutral fuel, offers a sustainable alternative to petroleum diesel. However, its widespread application is hindered by the need for energy-intensive deoxygenation processes that often degrade the carbon backbone of fatty acid esters. This study presents a non-noble NiMo/HBeta bifunctional catalyst for the complete conversion of methyl stearate under mild conditions (190 °C), achieving 92.53% selectivity toward C18 alkanes and a high HDO/DCO (hydrodeoxygenation/(decarboxylation + decarbonylation)) ratio of 12.38, outperforming previously reported catalytic systems. Mechanistic insight reveals that atomically dispersed Niδ+–MoOx sites enable directed electron transfer from Ni to Mo. This creates a synergistic interface where Ni activates H2 while Mo polarizes the C=O bond, lowering the barrier of the HDO pathway to 1.76 eV and kinetically favoring carbon-retentive deoxygenation. Concurrently, Mo reshapes the acid properties by suppressing strong Brønsted sites, establishing a Lewis-acid-dominated microenvironment that selectively cleaves C–O bonds while inhibiting C–C scission. This work elucidates how interfacial electronic synergy and tailored acidity cooperatively steer reaction pathways, offering a design principle for efficient biomass upgrading under mild conditions.
Synergistic Electron–Proton Modulation in Donor–Acceptor Polymers for NADH Regeneration and CO2-to-Glycerol Conversion
Guohua Li, Xiaodi L, Wei Zhang, Di Cai, Hui Cao, Zehan Yao, Tõnu Pullerits, Kaibo Zheng, Tianwei Tan
, Available online  , doi: 10.1016/j.gee.2026.03.025
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Photochemical regeneration of NADH is essential for bioinspired redox catalysis but remains limited by inefficient electron-proton coordination. We report a donor-acceptor conjugated polymer system with rhodium centers, where electron-donating substituents (-OH, -OMe, -Me) can modulate both photo-induced charge behavior and surface reaction properties. The optimal -OH subsitutents can, on one hand, enhances dielectric screening and planarity of the polymers to, reduce the exciton binding energy and facilitate charge injection to the rhodium active centers. On the other hand, its hydrophilicity further promotes proton migration, enabling synchronized and co-localized two-electron/one-proton donation to NAD+ at the rhodium centers. Therefore, the optimized -OH-containing polymer achieved selective photoreduction of NAD+ to 1,4-NADH at a rate of 12.81 mmol g-1 h-1, which is one of the highest levels reported to date to our knowledge. Integrated into a photo-electro-enzyme cascade, the system synergistically couples NADH regeneration with enzymatic catalysis to achieve the first conversion of CO2-derived aldehydes into glycerol, highlighting its potential for sustainable carbon valorization. This work establishes a facile strategy to regulate both electron and proton donation in organic photocatalysts and expands their application in solar-driven biotransformations.
Engineering LDH-Derived LiCoMnO4 Spinel/MXene Heterostructures via a Dual-Tuning Strategy for Efficient Lithium Extraction from Low-Grade Brines
Tianqin Huang, Pengrui Sun, Ruiqi Yong, Yan Wang, Ying Zhao, Chuhan Huang, Wei Zhou, Lifeng Ding, Lu Guo, Xianfen Wang, Meng Ding
, Available online  , doi: 10.1016/j.gee.2026.03.019
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Electrochemical lithium extraction from low-grade salt lake brines is a sustainable approach to reliable and cost-efficient lithium supply, yet it is hindered by sluggish diffusion kinetics and the severe interference from competing Mg2+ ions. This study proposes a “dual-tuned” strategy to engineer a high-performance electrode by simultaneously optimizing the intrinsic crystal architecture and the extrinsic conductive network. First, nanosized LiCoMnO4 (LCMO) spinels (∼100 nm) were synthesized via a topotactic transformation from ultrathin Co-Mn-layered double hydroxide (LDH) precursors, effectively shortening ion diffusion paths. Second, these nano-spinels were integrated with Ti3C2Tx MXene nanosheets to construct a 3D conductive framework that accelerates electron transport. The optimized 50%LCMO/MXene electrode achieved a superior lithium adsorption capacity of 188.55 mg g–1 (4.45 mmol g–1) and remarkable stability (87.6% retention over 200 cycles). Mechanistic investigations via ex-situ XPS and DFT revealed a distinct adsorption pathway: Li+ undergoes bulk intercalation driven by reversible lattice volume evolution, while Mg2+ is restricted to surface accumulation. Moreover, DFT analysis reveals that the Mn environment remains remarkably rigid. This local electronic rigidity minimizes the Jahn-Teller effect and Mn dissolution, providing a fundamental structural explanation for the electrode’s enhanced durability.
Where to go for the chemical designs of P2 phase Mn-based sodium cathodes?
Rui Huang, Shaohua Luo, Zhaozhan Shi, Lixiong Qian, Xin Liu, Shengxue Yan
, Available online  , doi: 10.1016/j.gee.2026.03.017
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P2 Mn based cathode materials has become one of the most promising candidate cathode materials due to its high specific capacity, suitable operating voltage and low-cost advantages, but its practical application is still limited by challenges such as high-voltage phase transition, Jahn-Teller effect, Na+/vacancy ordering and air sensitivity. So far, a comprehensive summary study of the corresponding mechanisms and design principles for modification design is still lacking. Based on the multi-scale ontological relationship analysis, this review firstly constructs the systematic research framework of P2 Mn based cathode materials, elucidates the constitutive relationship between the transition metal interlayer slip barrier-oxygen stacking sequence and the thermodynamic origins of the irreversible phase transition, and reveals the influence of the lattice doping-surface passivation synergistic regulation strategy on the dynamic coupling mechanism of the coordination distortion and the lattice oxygen activation in Mn3+. At the same time, it provides the theoretical support for deciphering the degradation of the air stability. In addition, this work examines the direction of elemental doping and surface/interfacial engineering to overcome the limitations in capacity and cycling stability, as well as the optimized design of low temperature cathode/electrolyte interface, aiming to summarize the design principle, mechanism and electrochemical performance. Finally, the modified design of such cathode materials is summarized, the existing key scientific issues of these materials are pointed out, and the direction of development in the near future is proposed.
Coordination-Driven Highly Active Bi-(Et3N)0.3 for Selective Cleavage of Lignin Cβ-O-4 Bond via Fluidized Electrocatalysis
Jingjing Shi, Yanju Lu, Xincheng Cao, Feng Long, Junming Xu, Zupeng Chen, Jianchun Jiang
, Available online  , doi: 10.1016/j.gee.2026.03.016
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The development of a mild and efficient electrocatalytic system for lignin depolymerization via selective cleavage of aryl ether bonds to produce high-value-added chemicals is highly attractive yet remains challenging. Herein, we report a crystalline phase reconstruction strategy for the synthesis of heterogeneous Bi-(Et3N)0.3 catalyst with rich defect sites and high-valence Bi species, which, when coupled with a fluidized phosphotungstic acid (HPW) electrolyte, achieves 100% conversion of the 2-phenoxy-1-phenylethanol model compound and a phenol yield of up to 60.7%. The Faraday efficiency (FE) reached 89.3%, outperforming existing state-of-the-art lignin electrocatalytic systems. Comprehensive in situ electrochemical impedance spectroscopy (EIS) and density functional theory (DFT) results confirm that the high-valence Bi species is beneficial in promoting the rapid activation of the protons (H+), while the rich-defect sites derived from the crystal phase reconstruction between Bi-O and Bi-N-C coordination optimize the adsorption-activation of oxygen-containing intermediates. Moreover, the HPW electrolyte with a low dissociation energy barrier ensures an abundant proton supply, while the ion-rich groups ([PW10VIW2VO40]5−) further induce the progression of the reaction. By manipulating the variation of current density, the dissociation efficiency of H+ and [PW10VIW2VO40]5− of HPW were modulated, enabling the controllable switching of the phenol generation pathway. Through the rational design of an efficient electrocatalytic system and the optimization of the electrolyte microenvironment, the targeted and efficient cleavage of lignin Cβ-O-4 bonds has been achieved, enabling the production of high-value-added chemicals.
Oxygen vacancy-rich MoOx enables selective C-C bond cleavage for boosted glyceric acid production from xylose
Xiao Feng, Lidong Xia, Xianglong Zhang, Wenlong Jia, Huai Liu, Dan Li, Zhicheng Jiang, Rui Zhang, Lincai Peng
, Available online  , doi: 10.1016/j.gee.2026.03.021
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The oxidation of inexpensive sugars into high value glyceric acid holds considerable appeal, yet faces a fundamental challenge in achieving precise cleavage of the target C–C bond, resulting in inefficient catalysis. Herein, a MoOx-N2 catalyst rich in oxygen vacancies (Ov) was successfully constructed via a self-assembly and two-stage annealing process. The developed catalyst efficiently converted xylose into glyceric acid under alkali-free conditions, achieving an excellent yield of 54.3% (0.905 mol/mol). Catalyst characterizations and density functional theory (DFT) calculations confirmed that Ov promote charge transfer between MoOx-N2 and H2O/O2, accelerating the generation of active ·OH and 1O2 species, thereby enhancing the xylose oxidation efficiency. Furthermore, Ov induced an upshift in the d-band center of electron-rich Mo, favoring the adsorption and activation of xylose and glyceraldehyde intermediate, significantly lowing the energy barriers for cascade ring-opening, C–C bond cleavage and oxidation reactions. DFT calculations further revealed that Ov benefited the removal of proton in C3–OH of xylose, subsequently facilitating selective C2–C3 bond cleavage and ultimately achieving high yield of glyceric acid. This work highlights the pivotal role of Ov in enhancing the catalytic efficiency of xylose oxidative conversion, providing an efficient strategy for glyceric acid production.
Advanced Aqueous Electrolytes toward Better Aluminum-ion Batteries: A Comprehensive Review
Xueao Jiang, MingYang Xin, Long Zhao, Yang Lv, Qiyou Wang, Weijian Liu, Baoshan Xie, Yanjie Ren, Hao Li, Jian Chen
, Available online  , doi: 10.1016/j.gee.2026.03.013
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Rechargeable aluminium-ion batteries are emerging as promising next-generation energy storage systems, benefiting from the high mass/volumetric energy density, low cost, and intrinsic safety of Al anodes. However, their practical deployment is hindered by the limitations of conventional non-aqueous electrolytes, including moisture/oxygen sensitivity, cost, and toxicity. Aqueous aluminium-ion batteries (AAIBs) offer a compelling alternative, with advantages in cost, safety, and environmental impact. Yet, the scarcity of suitable electrolytes, particularly those capable of supporting reversible three-electron Al3+/Al redox chemistry, poses a major obstacle to commercialization. Meanwhile, developing low-cost, chemically/electrochemically stable electrolytes capable of functioning across diverse temperatures remains a critical challenge and a central research direction for advancing AAIB technology. This review comprehensively surveys advances in AAIB electrolytes, focusing on high-concentration electrolytes systems for electrochemical stability, hydrogel electrolytes that mitigate degradation through solid-phase confinement, and hydrated eutectic electrolytes for wide-temperature operation. In particular, we delve into the latest innovations in AAIB electrolyte design, provide a comprehensive perspective on current opportunities and unresolved hurdles, discuss the strengths, limitations, and potential solutions for each electrolyte type, while outline future pathways for the development of AAIB electrolytes.
Assembling lignin carbonized polymer dots with bimetallic layered hydroxides to bridge water purification and zinc-ion storage
Pengfei Zhou, Jun Guo, Shenao Yuan, Shiman Chen, Yuanchen Zhu, Xiao Xiao, Feng Peng, Jikun Xu
, Available online  , doi: 10.1016/j.gee.2026.03.022
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Achieving multifunctional lignin-based carbonized polymer dots (CPDs) with controlled structures lie at the forefront of energy-environmental materials, yet tackling the structure-activity relationship is needed to optimize the assembling design in diverse applications. Here we report a bifunctional dot-sheet heterostructure of intercalating lignin-CPDs into layered double hydroxides (CoNi-LDH) to link Fenton-like water purification and zinc-ion hybrid capacitors (ZIHCs). The amino-functionalized CPDs hold the binding abilities of metal-ions over a wide concentration, posing the potentials to coordinate bimetallic hydroxides. Benefiting from high graphitization and conductivity, the green-emitting CPDs are paired with CoNi-LDH to enhance the interlayer spacing, rapid ionic-inserting transfer, and reversible chemical adsorption. In a three-electrode system, the CoNi-LDH@CPDs exhibit an ultrahigh specific capacitance of 1553.2 F g−1 at 1 A g−1 with excellent rate performance (70.82% capacitance retention at 10 A g−1). Thanks to the optimized geometric and electronic structure, intensified active sites and specific surface area, the CoNi-LDH@CPDs can activate percarbonate to eliminate antibiotic (∼94.44%) via reactive oxygen species and direct electron transfer paths over the entire pH of 3−11, with a robust stability of up to 82.16% even after ten consecutive cycles. After a low-temperature functionalization, the phase transition of layered metallic oxides (CoNi-LMO) is taken place onto the CPDs, which expedites high conductivity and abundant redox active sites to serve as the cathode of ZIHCs. It delivers a superior energy density of 122.97 Wh kg−1 at 1050 W kg−1 with a potential window of 2.1 V, and a long-term cycling durability of 98.89% even at a current rate of 20 A g−1. Our work not only advances the synthesis of CPDs from renewable lignin but also provides the insights into optimizing CPDs-intercalated LDH materials for multifunctional pollutant dissociation and energy storage.
Multi-scale research on coal chemical wastewater treatment: Pollutant molecules, technologies, and process integration
Yirong Feng, Jianxin Shi, Qingya Wang, Bingxiao Feng, Yongqing Wei, Wei He, Hengjun Gai
, Available online  , doi: 10.1016/j.gee.2026.03.020
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The coal chemical industry serves as an indispensable element in the fabric of the global energy system. However, the wastewater generated from its production processes exhibits high chemical oxygen demand, high toxicity, and poor biodegradability, which poses a considerable challenge to the industry’s ecological sustainability. This review systematically summarizes recent advances in treatment technologies for coal chemical wastewater (CCW) through a “pollutant molecules–technology–process integration” framework analyzed from micro- to macro-scale perspectives. It begins by delineating the complex chemical composition of CCW and identifying key toxic substances, thereby clarifying the current challenges in treatment processes and establishing a micro-scale foundation for technological development. The review then highlights solvent extraction, grounded in intermolecular interactions, as a core method for recovering phenolic compounds. This is followed by an in-depth analysis of the performance and mechanisms of biological treatment and advanced oxidation processes (AOPs) for the deep removal of refractory organic pollutants. Finally, from a macro-scale perspective, the integration of pretreatment, biological treatment, and AOPs into systematic frameworks trains is discussed. A thorough understanding of the molecular characteristics of pollutants is crucial for developing efficient treatment technologies. Moreover, system-level integration via process intensification and technological synergy is considered essential for achieving efficient purification and resource recovery from CCW.
Highly Active and Robust Cr-Doped Co3O4 Electrocatalyst for Acidic Oxygen Evolution via H-Receptor-Mediated Mechanism
Wenbo Liu, Zhipeng Xiang, Muzi Yang, Guifa Long, Zhicheng Hu, Kai Wan, Zhiyong Fu, Zhenxing Liang
, Available online  , doi: 10.1016/j.gee.2026.03.018
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Developing efficient and durable oxygen evolution reaction (OER) electrocatalysts for acidic media is vital for advancing proton exchange membrane water electrolyzers (PEMWEs) but remains highly challenging. In this work, a lattice-engineered Cr-doped Co3O4 (Cr0.3-Co2.7O4) electrocatalyst is constructed and achieves high activity and robustness for acidic OER. Spectroscopic and theoretical analyses reveal that Cr preferentially substitutes Co3+ octahedral sites to form “CrO6” units and transfers charge from Cr to the coordinated O atoms, activating them as intrinsic proton receptors. This unique functionality enables the formation of a bridged *O-O-H-O* intermediate, which circumvents the scaling relationship in the adsorbate evolution mechanism and accelerates OER kinetics. Meanwhile, Cr incorporation strengthens neighboring Co-O bonds, preserving structural integrity under acidic conditions. As a result, the Cr0.3-Co2.7O4 electrocatalyst delivers an overpotential of 404 mV at 50 mA cm-2, outperforming commercial IrO2 (417 mV). In a PEMWE, it delivers 200 mA cm-2 at 1.71 V with 500 h continuous operation and only 18 μV h-1 degradation. This work establishes lattice engineering of intrinsic proton-accepting motifs as a viable strategy for designing efficient, durable and noble-metal-free electrocatalysts for acidic OER.
Progress in Catalytic Metal-Zeolite composites for VOCs Abatement: A Comprehensive Review
Fengshi Meng, Yiwen Wang, Shunzheng Zhao, Fengyu Gao, Xiaolong Tang, Honghong Yi, Qingjun Yu
, Available online  , doi: 10.1016/j.gee.2026.03.012
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Amid the current environmental context, as the issue of VOCs control becomes increasingly severe, catalytic oxidation technology has emerged as a hot research direction in the industry. Meanwhile, research on composite multifunctional materials is on the rise, with metal-zeolite composites, as a novel type of multifunctional material, receiving widespread attention. This review systematically summarizes the roles and research progress of zeolites and their metal-loaded derivatives in VOCs purification, focusing on their applications as adsorbents, catalytic oxidation catalysts, and adsorption-catalytic oxidation multifunctional materials in processes such as adsorption, catalytic oxidation, and in-situ coupled adsorption-catalytic oxidation. It reviews the latest advancements in zeolite-based VOCs purification technologies, analyzes the bottlenecks and challenges they face, and proposes future research directions, aiming to provide insights for researchers in related fields.
Nanoconfinement Engineering of MOF-Derived-Hollow-Heterojunctions Towards Enhanced Photocatalysis
Gao Xiao, Weihan Chen, Liyin Chen, Xiaobing Yang, Wanglai Cen, Longhua Zou, Samson Afewerki, Junling Guo
, Available online  , doi: 10.1016/j.gee.2026.03.008
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Rational heterostructure design, tailored architectures, and enhanced charge dynamics are key factors for developing efficient photocatalysis for environmental remediation. In this study, we employed a metal–organic framework (MOF)-derived strategy to construct hollow polyhedral bimetallic sulfide heterojunctions (Co9S8/Ag2S) via nanoconfinement engineering. ZIF-67 is transformed into an amorphous cobalt sulfide scaffold, followed by in-situ growth of Ag2S nanoparticles and subsequent annealing. This process yields a well-defined heterostructure with intimate interfacial contact, facilitating efficient charge separation and transfer. Under UV light irradiation, the Co9S8/Ag2S heterojunction achieves a photocatalytic tetracycline degradation efficiency of 99.3%, significantly outperforming most other different photocatalyst systems. Comprehensive mechanistic studies reveal that a built-in electric field and nanoconfinement effects synergistically modulate the charge transfer dynamics. Density functional theoretical (DFT) computation results have also shown that the electrons were tended to flow from Co9S8 to Ag2S until a new equilibrium was established over the interface. The intensity of overlap between Co, Ag and S elements across the Fermi level (Ef) was enhanced compared with that in Co9S8 or Ag2S, which means that the heterojunction formation facilitated charge transfer between Co9S8 and Ag2S. Overall, this work advances photocatalyst design and illustrates the potential of MOF-derived heterostructures for efficient, sustainable water treatment applications.
Ultrathin Bismuth-Based Composite Nanosheets with Synergistic [Bi2+-VO]/VN Dual-Defect Engineering and g-C3N4 Modification for Solar-Driven Photocatalytic Antibiotic Degradation
Jingyue Hu, Yuanting Wu, Ruihua Gao, Lihui Guo, Guanjun Chen, Hulin Liu, Ou Hai, Xinmeng Zhang, Yunlong Xue, Yongqiang Feng
, Available online  , doi: 10.1016/j.gee.2026.03.010
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Synergistically coupling complementary vacancy pairs with an ultrathin framework provides a promising yet underexplored route to robust photocatalysts for water purification. Herein, we report the synthesis of ultrathin SBBC (Bi12SiO20-Bi2O3-BiOCl-Bi2SiO5)/g-C3N4 (CN) nanosheets (SBCN-6) in which surface [Bi2+–VO] defect centers are deliberately paired with nitrogen vacancies (VN), thereby uniting dual-defect chemistry with an ultrathin framework. Electron-sequestering [Bi2+–VO] clusters introduce deep trap states, which robustly capture photoexcited electrons generated in SBBC. VN sites in CN serve as efficient electron-trapping centers that significantly suppress internal electron-hole recombination within CN, and this combined action accelerates visible-light redox reactions. This synergistic dual-defect network, comprising [Bi2+–VO] in SBBC and VN sites in CN, significantly enhances charge separation. Density Functional Theory (DFT) and X-ray Photoelectron Spectroscopy (XPS) unveil a type-Z/type-II hybrid transfer cascade: SBBC (VB) → [Bi2+–VO] → SBBC (CB) → CN (CB) ← [VN] ← CN (VB). Under visible-light irradiation, the photocatalyst exhibits exceptional activity in degrading refractory antibiotics, achieving a high apparent rate constant (k) of 0.129 min-1 for tetracycline (93% degradation in 120 min) and removing 91% of ciprofloxacin in 120 min. Moreover, it rapidly degrades the Rhodamine B dye, with over 99% removal within just 30 min. It also retains excellent recyclability over multiple cycles and outperforms most reported Bi-based photocatalysts. Coupling dual-defect engineering with morphology control, this study advances the mechanistic exploration of defect-mediated catalysis and furnishes a valuable reference for constructing visible-light photocatalysts that simultaneously degrade dyes and antibiotics.
Cu-tuned Bifunctional CoMoP catalysts for Electrocatalytic Oxidation of 5-Hydroxymethylfurfural and Co-production of Hydrogen
Yuanjie Li, Xudong Hu, Ben Wang, Yujiao Lin, Haoyi Zhang, Caixia Feng, Jieshan Qiu, Yanmei Zhou
, Available online  , doi: 10.1016/j.gee.2026.03.011
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The electrocatalytic oxidation of 5-hydroxymethylfurfural (HMF) for the green production of bio-based 2,5-furandicarboxylic acid (FDCA) and hydrogen offers a sustainable pathway for utilizing biomass resources efficiently, in which the design and fabrication of electrocatalysts with tuned structure and properties is the key yet remains a big challenge. Herein, we report on the synthesis of Nickel foam supported CoMoP electrocatalysts with tuned electronic structure and enhanced adsorption capacity for HMF via a Cu-regulation strategy by making use of hydrothermal and low-temperature phosphating method (Cu@CoMoP/NF). The as-made Cu@CoMoP/NF catalysts were shown to be active for the electrocatalytic oxidation of HMF and the simultaneous production of hydrogen. The HMF oxidation reaction (HMFOR) coupled with the hydrogen evolution reaction occurs at a low cell voltage of 0.94 V at a current density of 10 mA cm-2 achieving 100% HMF conversion and 99.57% yeild of FDCA. It has been found that copper plays a critical role in Cu@CoMoP/NF, where Cu sites exhibit a marked electron-withdrawing behavior, promoting excited-state electron delocalization and inducing an upward shift in the d-band center. The coordinated electronic effects synergistically enhance the HMF adsorption at active sites while substantially lowering the kinetic barrier for subsequent transformations. This work may provide a promising strategy for the HMFOR and hydrogen production over Cu-tuned electrocatalysts and beyond.
Engineering Micropores in Biochar from Waste Cow Dung for Hydrogen Storage: Structure, Capacity, Kinetics and Mechanistic insights
Jiancheng Hong, Caizhu Liu, Jieying Jing, Haowei Liu, Ruiqi Wang, Ying Li, Yuxiang Zheng, Yuhua Wu, Jianbo Wu, Hui Zhang, Hongcun Bai
, Available online  , doi: 10.1016/j.gee.2026.03.009
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The resource utilization of massive amount of cow dung (CD) generated from modern animal husbandry is crucial for sustainable development. Converting CD into porous biochar for energy storage represents a promising strategy for high-value utilization. However, the application of CD-derived biochar for efficient hydrogen-storage remains challenging, primarily due to the difficulties in the controllable fabrication of microstructures and the unclear structure-performance relationship. To address these issues, this work presents a synthetic strategy involving KOH activation coupled with ultrasound-assisted technology to fabricate porous biochar from CD with tailored microporous structures. The optimized biochar exhibits ultra-high specific surface area of 2850 m2·g–1 and large pore volume of 2.31 cm3·g–1, leading to a remarkable hydrogen uptake capacity of 4.08 wt% at 77 K and 40 bar. A strong linear correlation was established between hydrogen storage capacity and micropore surface area, underscoring the critical role of micropores, especially at low pressures. Furthermore, first-principles calculations reveal enhanced H2 binding with N/O heteroatoms. RDG and EDA provide qualitative and quantitative insights into the physical adsorption nature. Finally, kinetics calculations with several adsorption and diffusion models confirm rapid hydrogen diffusion and equilibrium within biochar, highlighting its excellent kinetic performance for practical hydrogen-storage.
Hierarchically Porous UiO-66-Fe with Coordinatively Unsaturated Bimetallic Sites for High-Efficiency Selective Oxidation of Hydrogen Sulfide
Guanqing Zhang, Yongfang Qu, Qiliang Zhu, Fujian Liu, Lilong Jiang
, Available online  , doi: 10.1016/j.gee.2026.03.007
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Hydrogen sulfide (H2S), a toxic and corrosive gas, poses significant environmental and health risks. The selective catalytic oxidation of H2S to elemental sulfur has emerged as an attractive and sustainable solution for purification. In this work, a facile, template-free approach is developed to synthesize hierarchically porous UiO-66-Fe (HP-UiO-66-Fe) featuring abundant coordinatively unsaturated Fe/Zr dual-metal sites. The controlled competition between water and acetic acid as modulators directs the formation of the hierarchical pore architecture, while the asymmetric coordination between Fe and Zr generates numerous coordinatively unsaturated sites. The resulting HP-UiO-66-Fe demonstrates exceptional catalytic performance in H2S oxidation, achieving complete H2S conversion and nearly 100% sulfur selectivity across a broad temperature window. Through integrated structural characterization and catalytic performance evaluation, we reveal that the outstanding activity originates from the synergistic interplay between the unsaturated Fe/Zr bimetallic sites and the hierarchical porous framework, which collectively promote reactant activation, facilitate mass transport and strengthen sulfur poisoning resistance. This study not only presents a highly efficient catalyst for H2S abatement but also proposes a general design strategy for engineering multifunctional MOF catalysts via coupled bimetallic defect creation and pore-structure regulation.
Rare earth metal-organic framework catalysts: properties, synthesis, characterizations, and application
Liming Wang, Shunzheng Zhao, Xiaolong Tang, Qingjun Yu, Fengyu Gao, Huiting Ming, Qiyu Li, Honghong Yi
, Available online  , doi: 10.1016/j.gee.2026.03.003
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Among numerous metal-organic frameworks, rare earth metal-organic frameworks (RE-MOFs) have garnered significant attention across various catalytic fields. As a special class of MOFs, they exhibit high and tunable coordination numbers, diverse crystal structures, strong Lewis acidity, and excellent optical behavior—properties intrinsically linked to their outstanding catalytic performance. This paper presents a comprehensive review of RE-MOFs in catalysis, focusing on their synthesis and modification strategies, advanced characterization techniques, and specific applications. Solvothermal synthesis remains the prevalent method for preparing RE-MOFs, though more environmentally friendly approaches have emerged in recent years. Defect engineering enhances active sites and porosity, doping alters coordination types between organic ligands and metal ions, while MOF-on-MOF structures induce internal charge redistribution and electronic structure modifications—all effective strategies for boosting catalytic activity. Different characterization techniques are required to investigate the oxidation states of rare earth elements and the MOF structures. We list several key characterization methods that best demonstrate their features. Finally, this paper comprehensively summarizes the active sites provided by RE-MOFs and their catalytic principles across various reactions in fields such as energy conversion, environmental remediation, and organic chemistry. This review aims to provide theoretical guidance for designing highly efficient RE-MOF catalysts.
Cellulose Nanofiber-Based Nanofiltration Membranes for Sustainable Water Purification
Ge Li, Xinchen Xiang, Yunlong Cui, Xiaolu Ni, Kailun Zou, Guozhong Shi, Zhikan Yao, Lin Zhang
, Available online  , doi: 10.1016/j.gee.2026.03.006
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Although nanofiltration (NF) membranes enable energy-efficient molecular separations critical for sustainable ecosystem, their conventional fabrication from petrochemical polymers raises end-of-life environmental concerns. Cellulose nanofiber (CNF), as a biodegradable and renewable biomass material, offers a promising green alternative for NF membrane production. However, fabricating dense NF membranes from highly concentrated CNF suspensions remains challenging due to their high viscosity and poor film-forming properties. In this work, we overcame these limitations through an acidification-assisted process that disrupts the CNF gel network, enabling improved processability. Subsequent crosslinking with glutaraldehyde and thermal-induced formation yielded a robust and dense NF membrane with tailored nanostructure. The optimized membrane exhibited effective separation performance, achieving approximately 90% rejection of Na2SO4 and 99.4% removal of humic acid while maintaining a water flux over 20 L·m-2·h-1. This work proposes a sustainable fabrication route for high-performance nanocellulose membranes, establishing a renewable alternative to conventional petrochemical-based water purification filtration materials.
Synergistic design of O2/O3 composite Li-rich cathodes: A novel strategy for high-performance Li-ion batteries
Wangwei Ren, Qiang Lu, Dezhi Yan, Shichao Zhang, Puheng Yang, Zhe Zhang, Feiyue Zhai, Shuai Yin, Yiyuan Yan, Shen Liu, Guowei Liao, Qianfan Zhang, Xingjiang Liu, Yalan Xing
, Available online  , doi: 10.1016/j.gee.2026.03.005
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Due to their unique anion and cation redox mechanisms, Li-rich Mn-based layered oxide cathodes are considered extremely promising candidates for next-generation high-performance Li-ion batteries. However, their practical applications are limited by capacity degradation, voltage degradation, and poor rate performance. In this work, an O2/O3 composite Li-rich cathode was constructed by integrating nanoscale O3 particles on the surface of O2 microspheres. By combining the inherent excellent voltage retention of the O2-type structure with the nanostructured O3 rate advantage, the O2/O3 composite cathodes exhibit excellent specific capacity, cycling stability, and rate performance. Thanks to the synergistic effect of O2 and O3, the obtained composite cathode has a high discharge specific capacity of 298.06 mAh g-1 at 0.1C. It maintains 85.34% capacity retention after 100 cycles at 0.5C and still delivers a discharge specific capacity of 144.64 mAh g-1 at 5C. Based on experiments and theoretical calculations, the potential impact of the O2/O3 interface on electrochemical performance is elucidated. The built-in electric field at the two-phase interface plays a crucial role in structural stability. The O2/O3 composite cathode developed in this study holds potential to advance the development of high-performance Li-ion batteries.
Biomass-engineered graphitic carbon nitride: structure modulation, charge dynamics, and photocatalytic applications
Yuan Xue, Sheng Liu, Yujuan Guo, Yanjun Zhang, Zushun Xu, Yongxing Zhang, Guangfu Liao, Qing Li
, Available online  , doi: 10.1016/j.gee.2026.03.002
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Graphitic carbon nitride (g-C3N4) is a metal-free, environmentally sustainable semiconductor photocatalyst characterized by its well-defined layered structure, tunable electronic structure, and exceptional optical properties. To address the inherent limitations of g-C3N4 that impede its practical application and development, researchers have devised diverse modification strategies, spanning nanostructure engineering, elemental doping/defect introduction, and heterojunction construction. This review underscores the multifaceted synergistic effects derived from the structural diversity of biomass during modification processes. These integrate three core components: (i) Utilizing the unique chiral architecture and abundant functional groups for morphological control (ii) Band structure engineering through biomass-derived unique skeletons and multi-element induced defect formation and (iii) Constructing heterojunctions with unique interfacial effects by integrating biomass materials of different dimensional architectures. Furthermore, synergistic modifications enable atomic-scale lattice engineering with capabilities beyond those achievable by traditional inorganic precursors. Subsequently, we also introduce the applications of biomass-derived modifications in regulating g-C3N4 photocatalysts toward addressing energy conversion and environmental remediation challenges. Finally, we delineate the promising trajectory of biomass-engineered g-C3N4 photocatalysts, envisioning their expanded deployment in energy conversion systems through synergistic integration with emerging technologies.
Z-Scheme Heterojunction-Enabled Superoxide Radical Dominance in BiO2-x-Bi2O2CO3 Photocatalyst for Efficient Organic Pollutant Degradation
Xia Zhang, Peng Zhang, Li Chen, Fan Mo, Zikang Xu
, Available online  , doi: 10.1016/j.gee.2026.03.004
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Heterojunction photocatalysis holds great significance for low-cost and efficient environmental remediation processes, particularly for addressing persistent antibiotic contamination. Here, BiO2-X-Bi2O2CO3 heterojunction photocatalysts are fabricated via a low-temperature solvothermal epitaxial growth method. The intimate interfacial contact between the BiO2-X nanoparticles and the epitaxially grown Bi2O2CO3 nanosheets was detected, which endows the heterostructure with significantly enhanced visible-light activity. The photocatalytic properties of the optimized composite, BiO2-X-Bi2O2CO3-20, are investigated in detail toward tetracycline (TC) degradation. The superior charge carrier dynamics is confirmed to be vital to enhanced performance, as evidenced by PL spectroscopy and transient photocurrent analysis, which collectively indicate that the heterojunction effectively suppresses electron-hole recombination and promotes charge transfer. Mechanistic studies, including ESR and radical trapping experiments, validated a Z-scheme charge transfer pathway, which ensures the preservation of the strong reducing (e- at -0.75 eV) and oxidizing (h+ at 2.51 eV) potentials. This preserved high energy (∼3.26 eV) promotes the generation of the superoxide radical (·O2-), conclusively identified as the dominant active species responsible for the high efficiency. This work introduces a robust Z-scheme method for Bi-based photocatalysts, which is ready to extend to other heterogeneous systems and offers a new option to design high-performance catalysts for efficient antibiotic-contaminated wastewater treatment under visible light.
In-situ Encapsulation of Pt and Acid-Site Engineering in Hierarchical SAPO-11 for Enhanced Isomerization-cracking and Anti-Coking in Sustainable Aviation Fuel Production
Xiaokang Yue, Yufeng Hou, Luyao Xie, Fei Han, Zhongxu Zhang, Qingxin Guan, Wei Li
, Available online  , doi: 10.1016/j.gee.2026.03.001
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Isomerization-cracking is a critical step in the preparation of sustainable aviation fuel (SAF). The practical application of conventional Pt/SAPO-11 catalysts is hampered by several deactivation mechanisms: metal sintering, pore blockage, and inefficient mass transfer of bulky molecules, all contributing to unsustainable performance over time. To overcome these challenges, this study introduces a novel Pt@SAPO-11-H catalyst, where sub-nanometric Pt clusters are encapsulated within a hierarchically porous SAPO-11 framework. The synthesis employs a ligand-assisted in situ encapsulation strategy with P123 as a mesoprogen. Beyond constructing hierarchical porosity, a critical secondary role of P123: the formation of amorphous AlPO4 during crystallization, which selectively covers strong acid sites on SAPO-11. This acid-site engineering effectively suppresses excessive cracking, a key factor for maximizing SAF yield. Comprehensive characterizations confirmed the confinement of Pt clusters, the hierarchical pore structure, and the moderated acidity. Catalytic evaluation using octadecane as a model feedstock, achieving a 66.4% SAF yield with a 4.12 i/n ratio. The SAF yields of cottonseed oil, castor oil, palm oil, and tiger nut oil reached 82%, 70.2%, 79%, and 80% respectively. These results highlight the dual benefits of hierarchical porosity for enhanced diffusion and metal encapsulation for precise active site localization, offering a promising solution for scalable SAF production.
Syngas-Promoted Selective Catalytic Hydrogenolysis of Cellulose into C6-Ketones
Zhiyang Tang, Xianyuan Wu, Jie Qu, Xinjun He, Fukun Li, Jinxing Long, Qiang Zeng, Haixia Su, Hongyan He, Xuehui Li
, Available online  , doi: 10.1016/j.gee.2026.02.003
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Selective hydrogenolysis of cellulose into C6-ketones offers a promising route for the production of high-value carbonyl compounds. However, conventional metal-catalyzed hydrogenolysis methods typically rely on externally added acids and require high-purity H2. Herein, we report an alternative syngas-promoted hydrogenolysis method that eliminates these dual dependencies while enabling the selective transformation of cellulose into value-added C6-ketones. Under optimal conditions, using a commercial Pd/C catalyst at 230 °C and 3.0 MPa total pressure (H2/CO = 1.5/1.5 MPa) for 2 h, the yield of C6-ketones reached 37.8 C-mol%, representing a 6.8-fold enhancement compared to that obtained under pure H2. Mechanistic studies demonstrated a dual promotional effect of CO in directing cellulose to C6-ketones. First, competitive adsorption of CO on Pd active sites suppresses excessive hydrogenation and undesired hydrogenolysis of cellulose-derived intermediates. Second, CO participates in the water–gas shift (WGS) reaction (CO + H2O ⇌ CO2 + H2), generating carbonic acid (H2CO3) in-situ via CO2 + H2O ⇌ H2CO3, which provides a controllable acidic environment that promotes key intermediate transformations associated with C6-ketone precursor formation.
Recent Advances in Biomass-Based Monolithic Carbon Materials: Preparation and Energy, Environment Applications
Yuzhu Yang, Runqing Wang, Pengchen Wang, Long Shi, Zhongde Dai, Junfeng Zheng, Lu Yao, Dengrong Sun, Wenju Jiang, Lin Yang
, Available online  , doi: 10.1016/j.gee.2026.02.004
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Biomass-derived carbon materials (BC) have demonstrated significant promises in fields such as adsorbents, catalysts/catalyst supports, energy storage, and gas storage due to their versatile properties such as developed pore structure, outstanding electrical conductivity, and mechanical stability. In recent years, biomass-derived monolithic carbon materials (BMC) have garnered increasing attention. By overcoming the limitations of traditional powdered BC materials—such as operational difficulties, high usage losses, and safety concerns, thus significantly expanding the research scope of BC. In this paper, the recent advances in BMC materials−including the synthesis strategy and their applications in energy storage (including energy storage, electrochemical catalysis) and environmental remediations (pollution control, carbon capture, et al.) −have been reviewed comprehensively for the first time. At last, the remaining challenges and new outlooks on the research of BMC have also been proposed. It is expected that this review paper would assist the reader working on BMC and interested newcomers to acquire concise and systematic information as well as contribute novel ideas over a wide spectrum of disciplines.
MOFs@aerogel composite materials for air pollutant control: preparation strategies, interfacial synergistic mechanisms and governance applications
Chaofan Xiao, Fengyu Gao, Yu Xia, Tingkai Xiong, Honghong Yi, Qingjun Yu, Shunzheng Zhao, Yuansong Zhou, Xiaolong Tang
, Available online  , doi: 10.1016/j.gee.2026.01.009
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Greenhouse gas emissions are exacerbating global climate change, while excessive air pollutants also pose a serious threat to the environment and human health. Innovative breakthroughs in environmental functional materials are urgently needed for the efficient management of gaseous pollutants, and the composite strategy of metal-organic frameworks (MOFs) and aerogels provides an important direction for the development of advanced environmental materials by integrating the high specific surface area and tunable active sites of MOFs with the three-dimensional mass-transfer network of aerogels. In this paper, the construction strategy of MOFs@aerogel composite system and the optimization mechanism are systematically reviewed, focusing on the analysis of the material properties and composite effects. Theoretical calculations and free radical characterization have clarified the collaborative mechanism of material interfaces, while component evolution and stability analysis have revealed the prospects of composite materials in practical environmental governance applications. In the field of gas treatment, the composite material mainly presents three types of application directions: firstly, adsorption-oriented applications (e.g., adsorption trapping of CO2); secondly, catalytic-oriented applications (e.g., catalytic reduction of NOx); and thirdly, synergistic adsorption and catalytic application (e.g., VOCs degradation). By analyzing the material properties, common gas pollutant management scenarios, and quantitative performance comparisons of the materials. It is found that the synergistic effect of composites can significantly enhance the CO2 adsorption capacity, NOx catalytic activity and VOCs degradation efficiency. However, the unknown interfacial mechanism, insufficient dynamic stability and high scale-up cost are still the bottlenecks. In the future, it is necessary to combine the development of low-carbon processes and breakthroughs in in situ characterization technology to promote the transformation of this system from laboratory research to industrial applications.
Artificial Intelligence‐Driven Discovery and Design of Solid-State Hydrogen Storage Materials
Yuyi Chu, Yanxin Li, Yanxi Lyu, Di Zhang, Hao Li, Weijie Yang, Jianqiu Li, Liang Zhang
, Available online  , doi: 10.1016/j.gee.2026.01.007
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Artificial intelligence (AI) is reshaping the discovery and optimization of solid-state hydrogen storage materials, a cornerstone of a scalable hydrogen economy. However, interdependent trade-offs among capacity, operating conditions, and cycling stability still limit progress. This Review surveys AI-assisted advances in metallic hydrogen storage through the co-design of features and models. We consolidate descriptor sets that fuse intrinsic crystal, electronic-structure, and thermodynamic properties with extrinsic experimental conditions. We also systematically summarize machine-learning approaches for performance prediction, physics-informed simulation, and materials and process optimization. We additionally describe AI-driven platforms that integrate curated datasets, forward–inverse modeling, workflow orchestration, and user-facing tools for high-throughput screening and synthesis-aware decision-making. Looking ahead, interpretability, cross-scale modeling, and large language model driven closed-loop discovery will accelerate the practical deployment of solid-state hydrogen storage.
Construction of Bi2Fe4O9/MXene Schottky heterojunction: synergistic charge transfer for efficient photocatalytic degradation of ciprofloxacin
Zizhen Wu, Zhao Wang, Jun Shi, Huiping Deng
, Available online  , doi: 10.1016/j.gee.2026.02.002
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MXene has become an emerging two-dimensional layered material of significant interest in the field of photocatalysis. Introducing Ti3C2-MXene at the semiconductor interface has become a promising strategy for enhancing the photocatalytic performance through charge carrier separation. In this study, a Bi2Fe4O9/1%Ti3C2 (BFT-1) Schottky heterojunction photocatalyst was successfully synthesized to efficiently remove ciprofloxacin (CIP) from water. Under visible-light irradiation for 50 min, the degradation of CIP by BFT-1 reached 85.7% (k = 0.032 min−1), which was 1.6 times that of the pure Bi2Fe4O9 (BFO). The morphological characterization and photoelectrochemical analyses confirmed the successful synthesis of BFT-1. The Schottky heterojunction facilitated electron transfer and inhibited carrier recombination. Meanwhile, the BFT-1/Vis system demonstrated good adaptability to various environmental substrates in water. The BFT-1 photocatalyst also exhibited excellent stability and reusability over multiple cycles, along with minimal metal ion leaching. This research demonstrated the great potential of the BFT-1/Vis system as an efficient solution for the treatment of antibiotic-contaminated wastewater.
Unlocking Efficient Electrocatalytic Oxidation of Fatty Alcohol via Self-Promoted Hydrophobic Interfacial Microenvironment
Ruiqi Du, Shiyan Wang, Yuhan Sun, Zemao Chen, Kaizheng Zhang, Binhang Yan, Zheng Liu, Yi Cheng
, Available online  , doi: 10.1016/j.gee.2026.02.001
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Electrocatalysis offers a promising solution for the oxidative valorization of fatty alcohols, showcasing reaction mildness and sustainability. However, the intrinsically low solubility of fatty alcohols in aqueous electrolyte presents severe mass transfer barriers, thus impeding the efficiency of electrocatalytic oxidation processes. In this study, we develop an electrolyte engineering strategy that avoids exogenous additives. By utilizing the amphiphilic fatty acid anions, we construct a “self-promoted” hydrophobic interfacial microenvironment. This design significantly enhances the oxidation rate of fatty alcohols on gold electrocatalysts while simultaneously ensuring high-purity products. Specifically, the addition of potassium octanoate (KC8) into 1 mol L-1 KOH results in a 3-4 fold increase in terms of current density and productivity for octanol oxidation, underscoring substantial practical potential. Mechanistic studies reveal that KC8 modifies the electrical double layer structure, effectively repelling interfacial water and disrupting the hydrogen bond network, thereby enhancing interfacial hydrophobicity. The hydrophobic microenvironment subsequently promotes the enrichment of octanol reactants at the interface, leading to improved adsorption coverage on the electrode. The “self-promoted” strategy established in this work represents a cost-effective method for interfacial microenvironment modulation, offering inspiration for the development of efficient organic electrocatalytic processes involving hydrophobic reactants.
Tailoring Charge Dynamics via Cu-Doped TiO2/g-C3N4 S-Scheme Composites for Solar Hydrogen Evolution
Chunxia Wang, Yanxin Sun, Zhuo Wang, Yifeng Zeng, Qin-Yi Li, Xinchen Kang, Guoyong Huang
, Available online  , doi: 10.1016/j.gee.2026.01.008
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Copper (Cu) doping modifies the band structure of TiO2 by slightly narrowing the bandgap and shifting the Fermi level, while creating localized states that serve as temporary electron reservoirs to suppress carriers rapid recombination. On this basis, a ternary heterojunction Cu-TiO2/g-C3N4 (Cu-CT) was constructed by anchoring Cu-TiO2 onto g-C3N4 nanosheets. The synergistic interaction between Cu-doping and the S-scheme interfacial configuration generates an internal electric field that promotes vectorial carrier migration, enabling electrons in the conduction band of Cu-TiO2 and holes in the valence band of g-C3N4. This spatial separation preserves strong redox potentials and markedly suppresses recombination. Consequently, Cu-CT achieves a hydrogen evolution rate of 10.21 mmol g-1 h-1, more than twenty times higher than pristine TiO2. In-situ XPS, KPFM, and DFT analyses collectively validate the S-scheme charge-transfer pathway and highlight the synergistic role of Cu doping with heterojunction engineering, providing mechanistic insights to the rational design of advanced ternary photocatalysts for efficient solar-driven hydrogen production.
Grain-boundary-proximal hydroxyl defects in Pt-regulated inverse spinel high-entropy oxide enabling efficient CO2 photoreduction
Xuran Lei, Chunhong Qu, Yun wang, Lei Wang, Wenli Zhang, Min Zhang, Deping Wang, Liqiu Zhang, Chunmei Li, Hongjun Dong
, Available online  , doi: 10.1016/j.gee.2026.01.006
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Achieving efficient photocatalytic performance for high-entropy oxides (HEOs) continues to pose significant challenge, primarily attributed to their intrinsically limited charge carrier mobility and sluggish surface reaction kinetics resulting from heterogeneous defect distributions. Herein, the new Pt-regulated inverse spinel HEOs with honeycomb-like architecture are developed employing a facile sol-gel technique. The doping of trace amounts of Pt in the octahedral B voids of the high-entropy (FeZnAlCoMn)3O4 can enables electronic structure optimization and regulates the grain-boundary-proximal hydroxyl defects, thereby improving CO2 adsorption/activation capabilities, charge transfer and separation efficiency, and surface reaction kinetics. As a result, the optimal high-entropy 1.6%Pt-(FeZnAlCoMn)3O4 achieves 3.41 times average CO evolution rate of (FeZnAlCoMn)3O4 and stable operations for 4 cycles in the photocatalytic CO2 reduction. This contribution provides novel insights into the targeted design and regulation of high-entropy oxides (HEOs) for efficient photocatalytic CO2 reduction, thereby establishing a new paradigm for grain boundary defect engineering that can be extended to other application fields.
Recent Progress of Surface/Interface Modification of Transition Metal Oxides for Enhancing Electrochemical Energy Storage and Conversion Activity
Zhiqiang Cui, Siqi Zhan, Rui Mei, Mengping Liu, Minglei Cao, Qin Wang, Yating Zhao, Rui Tong, Dongming Cai, Zhenghui Pan
, Available online  , doi: 10.1016/j.gee.2025.12.013
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The electrochemical performance of transition metal oxides (TMOs) is significantly influenced by their surfaces and interfaces, which are pivotal in facilitating charge transfer, ion diffusion, and catalytic reactions. However, intrinsic limitations such as poor conductivity, insufficient active sites, and structural instability often hinder their efficiency. Surface/interface modification addresses these challenges by engineering the material at the atomic and nanoscale levels, thereby enhancing its functional performance. The rational design of transition metal oxide (TMO) surfaces and interfaces is pivotal in advancing electrochemical energy storage and conversion technologies, which involves tailoring the surface electronic structure, optimizing the surface topography, enhancing charge transfer rates, and incorporating vacancy defects. Surface and interface modification offers a plethora of active sites, thereby becoming indispensable in enhancing material properties. This review systematically summarizes the latest advancements in the surface/interface modification of transition metal oxides, with a particular focus on the strategies to enhance the electrochemical performance and stability of these materials in energy storage applications. It kicks off with a thorough exploration of vacancy engineering and delves into the fundamental mechanisms behind ion doping. Subsequently, various methods for modifying interfaces and surfaces, including thermal treatment, reduction method, cation/anion doping, plasma treatment, combustion treatment, laser ablation, are meticulously discussed. Furthermore, the crucial role of surface/interface modification of transition metal oxides in catalysis, supercapacitors, and secondary batteries is elaborated in detail. Finally, the review addresses the challenges and future prospects associated with modifying the surfaces/interfaces of transition met.
Synergistic Realization of Superior Potassium Storage in Group VB Metal Sulfoselenides via Complex-Assisted Interlayer Expansion and Augmented Charge Transfer Effect
Yifan Yang, Jinfeng Zheng, Zipeng Wang, Tiantian Liu, Penglei Chen, Zhanxiao Lu, Jiafan He, Yuxuan Wang, Xin Du, Dan Li
, Available online  , doi: 10.1016/j.gee.2026.01.001
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Transition metal sulfoselenides inherit the 2D structure, large interlayer spacing, and high reactivity of their binary sulfide counterparts while tuning interlayer spacing and electronic structure via Se substitution for S, enhancing reaction kinetics and showing promise for potassium storage. Herein, a series of Group VB metal sulfoselenides (VSSe, NbSSe, and TaSSe) were successfully synthesized via chemical vapor transport and systematically evaluated their electrochemical properties as anodes for potassium-ion batteries. A combination of analytical techniques was employed to elucidate the underlying potassium storage mechanism, with findings confirming all three materials operate via intercalation. Both experimental findings and theoretical calculations reveal that NbSSe stands out among the three materials, showcasing exceptional electrochemical performance (retaining 182.1 mA h g-1 after 200 cycles at 0.5 A g-1 and exhibiting a rate capability of 127 mA h g-1 at 1 A g-1), the swiftest kinetics, the highest degree of metallicity, and the lowest reaction polarization. The essence of its enhanced performance lies in the unique ability of NbSSe to establish an interlayer expansion skeleton through complexes formed between the current collector Cu and electrolyte solvent molecules, which substantially widens the ion transport pathways - a feature absent in VSSe and TaSSe. Additionally, the pronounced charge transfer effect of Nb creates a synergistic interaction, and it is the combination of these two factors that propels NbSSe to ultimately attain superior electrochemical properties.
Transition metal dichalcogenide nanostructures: synthesis and application in detection and removal of metal ion contaminants from water
Xinyue Xiang, Binqi He, Maiyong Zhu
, Available online  , doi: 10.1016/j.gee.2026.01.005
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At present, the global freshwater resources are severely lacking, and all life activities rely on freshwater resources. Industrial and domestic wastewater contain a large amount of toxic heavy metal ions and other toxic substances, which are not only harmful to human health but also cause significant damage to the environment. Therefore, it is necessary to detect and remove these metal ions. Although many technologies have been studied, there are still many deficiencies. At the same time, due to the vast proportion of the ocean on the earth, people hope that seawater resources can also be utilized by humans, and research on seawater desalination technology is being carried out. Capacitive deionization (CDI) technology has high desalination efficiency and no secondary pollution during the desalination process, and is therefore widely used. The core of these technologies lies in the materials used. Graphene-like materials, with their large specific surface area and numerous surface active sites, have been widely studied, especially transition metal dichalcogenides (TMDs) materials, which have excellent physical and chemical properties. This article mainly introduces the application of TMDs materials in the detection and removal of heavy metal ions in solutions and in CDI desalination, analyzes the advantages and disadvantages of the materials, and discusses the future development direction.
Polybenzimidazole anionic exchange membrane with hydrophobic clusters for efficient electrochemical CO2 reduction
Zuyu Li, Pingxia Zhang, Min He, Lihua Wang, Zhi Qiu, Yanbin Yun
, Available online  , doi: 10.1016/j.gee.2026.01.002
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Specific anion exchange membranes (AEMs) are vital to highly efficient electrochemical CO2 reduction (ECR) which is a perspective choice for the carbon neutrality. However, the unexpected trade-off effect originated from the ion conductivity and the hydrogen evolution reaction (HER) is still a great challenge. Herein, AEMs with hydrophobic clusters distribution in hydrophilic domain were designed and prepared by special ternary-polymerization polybenzimidazole (TP-PBI). The hydrophilic domain contributed to high ionic conductivity and dispersed hydrophobic clusters inhibited the membrane swelling and consequently the HER. As a result, an increase of 157% was achieved in ionic conductivity compared with that of OPBI and the prepared TP-PBI membranes exhibit CO faraday efficiency (FEco) as high as 96.2%, outstanding in situ durability for 24 h at 100 mA·cm-2. Such TP-PBI membranes throw new light on the development of AEMs for highly efficient ECR.
Efficient polyolefin plastic upcycling into jet fuel components over a Fe/Beta catalyst in decalin
Xingyu Zhang, Aoyi Tang, Youjing Tu, Ruikai Li, Yao Zhang, Ze Song, Xinhao Shen, Junhong Liu, Yuan Liang, Shenggang Li, Lingzhao Kong
, Available online  , doi: 10.1016/j.gee.2026.01.003
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Jet-range hydrocarbons were produced from polyolefin waste via a one-pot conversion of high-density polyethylene (HDPE) in decalin using a bifunctional Fe/Beta catalyst. Operating at 300 °C for 90 min afforded a liquid yield of 84.0 wt%, with 96.9 area% in the kerosene cut (C8–C16). The liquid product is rich in cycloalkanes (61.8 area%) and paraffins (24.4 area%), while aromatics remain limited (13.8 area%), consistent with aviation fuel specifications. Structure–performance analysis links the high activity and selectivity to uniformly dispersed Fe nanoparticles (2–5 nm) cooperating with tuned Brønsted/Lewis acidity on Beta zeolite. This metal–acid synergy enables controlled C–C scission and efficient hydrogenation, suppressing olefin accumulation and over-aromatization, thereby enhancing fuel quality. The results demonstrate a practical, mild route to upgrade plastic waste into drop-in jet-fuel components.
Mitigating Reaction Heterogeneity in Li-Rich Layered Cathodes through Surface-Phase Regulation Enabled by Tailored Concentration Gradients Engineering
Yujia Wu, Yuefeng Su, Jinyang Dong, Yun Lu, Jianan Hao, Huiquan Che, Teng Yang, Yiya Wang, Ning Li, Yibiao Guan, Feng Wu, Lai Chen
, Available online  , doi: 10.1016/j.gee.2025.12.017
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Bioinspired Hierarchical Nanostructured CuBi2O4/CuO Heterojunction Photocathode for Enhanced Performance in Photoelectrochemical Water Splitting
Hao Xiu, Fan Fan, Pan An, Mengshen Zhang, Yuting Wang, Yongpeng Cui, Yajun Wang, Guiyuan Jiang, Chunming Xu
, Available online  , doi: 10.1016/j.gee.2025.12.016
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The development of high-performance photocathode materials is crucial for solar hydrogen production, but their efficiency is often limited by poor charge separation, inefficient interfacial transfer, and sluggish surface reactions. In this work, a coral-like hierarchical nanostructured CuBi2O4/CuO heterojunction photocathode was designed to simultaneously overcome these limitations by synergistic adjusting the morphology and bandgap alignment. The optimized photocathode, featuring finer nanoscale microtentacles, substantially enhances the number of reactive sites, resulting in a significant enhanced interfacial electric field, which is 1.4 times greater than that of pure CuBi2O4. The CuBi2O4/CuO heterojunction photocathode generates a photocurrent density of 2.88 mA·cm-2 at 0.6 V vs. RHE, which is 4.43 times higher than that of a pure CuBi2O4 photocathode, and the incident photo-current efficiency reaches 18% at 400 nm. The charge transfer mechanism was elucidated using synchronous illumination X-ray photoelectron spectroscopy (SI-XPS), in-situ Kelvin probe force microscopy (SI-KPFM) and density functional theory (DFT) calculations, which directly observed the transfer of photogenerated electrons from CuBi2O4 to CuO and confirmed the enhancement of the interfacial electric field intensity induced by the S-scheme heterojunction. This work integrates bionic strategies into PEC applications, offering a valuable reference for the structural design of photoelectrodes and potentially advancing the efficiency of photoelectrochemical systems.
Transferable Molecular Model for Benzimidazole-Linked Polymer Membranes Applied in Hydrogen Separation
Qianqian Zhu, Shaofan Duan, Meixia Shan, Freek Kapteijn, Xin Gao, Yatao Zhang, Dongyang Li
, Available online  , doi: 10.1016/j.gee.2025.12.020
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Benzimidazole-linked polymers (BILPs), with their densely cross-linked ultramicroporous networks, are promising for hydrogen separation. However, the molecular selectivity mechanisms remain poorly understood, hindering rational design. We present a multiscale simulation for BILPs, using BILP-101 as a model, to precisely resolve its microstructural features and elucidate H2 separation performance at an unprecedented molecular level. Through meticulous optimization of simulation protocols, including force fields, atomic charges, chain configurations, and equilibration cycles, optimal simulation protocols were identified, and the interplay of pore architecture and chemical interactions driving H2 selectivity was uncovered. Our simulations not only demonstrate precise control over pore geometry but also accurately replicate experimental H2/CO2, H2/N2, H2/CH4 separation performance across standard and elevated temperatures. The generality of our model was further validated by its strong agreement with empirical data for BILP-5 and BILP-15. This work bridges advanced molecular modeling with experimental validation, providing design principles to accelerate the development of next-generation BILPs or other polymer membranes for energy-efficient gas separation.
Enhanced coal tar-resistance of LaFeO3-based oxygen carrier for chemical looping reforming of coke oven gas
Longyu Wen, Zhiqiang Li, Nina Chen, Jiangyong Yuan, Yuelun Li, Lei Jiang, Hua Wang, Kongzhai Li
, Available online  , doi: 10.1016/j.gee.2026.01.004
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Chemical looping reforming of coke oven gas (COG) is a promising technology for producing cheap hydrogen, but the presence of coal tar with relatively high concentration presents an enormous challenge for the design of oxygen carriers. In the present work, the effect of naphthalene (a coal tar model compound) on the activity and structure stability of LaFeO3-based perovskite oxygen carriers for chemical looping reforming of COG were investigated. We found that the presence of naphthalene would inhibit the methane conversion and lead to serious carbon deposit on oxygen carriers, thus reducing the structure stability during the redox cycling. In response to the aforementioned findings, a series of La1-xYxFe0.93Ni0.07O3-λ perovskite oxygen carriers were designed based on co-doping of A and B sites strategy. The presence of Ni2+ at B-site can improve the capacity of oxygen carrier for methane activation, and the Y3+ substitution at A-site may enhance the activity of lattice oxygen via regulating the Fe-O bond-length. With a suitable content of Ni and Y, the La0.9Y0.1Fe0.93Ni0.07O3-λ oxygen carrier shows superior performance for chemical looping reforming of COG, with the CH4 conversion higher than 99% and excellent stability during long-term redox cycles in the presence of 400 ppm naphthalene at 800 °C. This work may provide a viable strategy for developing robust perovskite oxygen carriers for the chemical looping reforming of fuels with relativity high content of impurities.
Ammonia Synthesis and Cracking: Thermocatalytic versus Electrochemical Approaches
Xue Ding, Sze Xing Tan, Zhang Lili, Jiajian Gao
, Available online  , doi: 10.1016/j.gee.2025.12.018
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Ammonia (NH3) is a key chemical for agriculture, energy storage, and industrial processes. Its synthesis and cracking (decomposition) are pivotal for a sustainable energy future, particularly in the context of green energy transitions. Two major approaches for these processes are thermocatalysis and electrocatalysis, each with unique mechanisms, challenges, and advantages, as discussed in this review. Thermocatalysis is more mature but energy-intensive, while electrocatalysis promises lower energy consumption and compatibility with renewable energy sources. Electrochemical approach has the potential to eliminate carbon emissions if coupled with green electricity, whereas thermocatalysis is reliant on fossil fuels unless carbon capture is implemented. Thermocatalytic processes for ammonia are well-established at an industrial scale, whereas electrocatalytic systems require further technological development to match this capacity. In summary, thermocatalysis remains the dominant method for ammonia synthesis and cracking due to its industrial maturity. However, electrocatalysis offers a promising pathway toward sustainable and decentralized solutions, provided ongoing challenges in efficiency, stability, and scalability are addressed. Balancing these technologies will be crucial in transitioning to a low-carbon economy.
Metal-free C(CN)3 cooperated with Co-Ti dual sites in bimetallic CoTi-MOF as a tandem photocatalyst for highly efficient C2H4 production
Lijun Xiong, Dandan Zhu, Chenglong Qiu, Weihong Zeng, Mingshi Xu, Shanshan Wang, Yong Yang
, Available online  , doi: 10.1016/j.gee.2025.12.019
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The photocatalytic reduction of carbon dioxide (CO2) into high-value C2+ hydrocarbons represents a sustainable pathway to alleviate energy shortages and reduce atmospheric CO2 levels. In this study, a unique tandem photocatalyst (CoTi-CN), is constructed by integrating bimetallic CoTi-MOF with metal-free half-metallic C(CN)3. This composite demonstrates markedly enhanced activity and selectivity in the photocatalytic CO2 reduction to ethylene (C2H4), achieving a C2H4 selectivity of 36.8% and a generation yield of 31.3 μmol g−1 over 5 h. Density functional theory (DFT) calculations combined with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis reveal that C(CN)3 acts as an efficient CO2 to CO converter, while CoTi-MOF favors the adsorption and C-C coupling of *CO intermediates. The spatially decoupled CO generation and C-C coupling processes lead to optimized intermediate coverage and reduced energy barriers, resulting in superior selectivity toward multi-carbon products. This work opens new horizons for the design of tandem photocatalysts that combine half-metallic catalysts with bimetallic MOFs, achieving a significant enhancement in the activity and selectivity of photocatalytic C2H4 production.
Revolutionizing eco-environmental solutions through 3D printing: A strategic vision for future innovations
Xudong Guo, Bin He, Ligang Hu, Guibin Jiang
, Available online  , doi: 10.1016/j.gee.2025.12.015
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Three-dimensional (3D) printing technology is emerging as a transformative tool in eco-environmental research. It innovates environmental analysis technologies, augments environmental purification, alleviates environmental health risks, and fosters ecological sustainability. Nevertheless, most current applications of 3D printing in the eco-environmental domain remain largely confined to laboratory testing stages, with limited translation to large-scale and real-world deployment. In this viewpoint, we review recent progress and critical challenges within this field, while providing strategic perspectives for its future trajectory. We highlight the imperative to integrate cutting-edge 3D printing techniques into eco-environmental research, advance sustainable printing materials, and develop integrated multifunctional devices for environmental monitoring and remediation. Furthermore, we introduce a pioneering conceptual framework: self-sustaining composite artificial biosystems. Here we envision it as a bionic tree, a 3D-printed biohybrid construct that integrates an open microfluidic scaffold with engineered living materials to autonomously maintain biological activity through self-driven internal mass transport. While emulating key morphological and physiological features of natural plants, the bionic tree transcends its natural analogue by enabling synthetic biology-guided environmental remediation, CO2 sequestration, and energy production. We provide an in-depth analysis of the rationale behind this concept, assess its technical feasibility, and present a developmental roadmap for this emerging research direction. Our insights are poised to amplify the contribution of 3D printing to the eco-environmental sector, thereby facilitating environmental pollution control and sustainable development.
Bimetallic Mo2C-Co Nanoparticles Embedded in Nitrogen-Doped Carbon Heterostructures as an Efficient Fenton-like Catalyst for Antibiotics Degradation
Lifei Lian, Hanbin Hu, Zhaohui Wu, Sai An, Yu-Fei Song
, Available online  , doi: 10.1016/j.gee.2025.12.010
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Fenton and Fenton-like catalysts have demonstrated great potential in the field of antibiotic degradation. However, it remains a challenge to remove the high concentrations of antibiotics effectively over a wide range of pH values. Herein, we successfully fabricate a heterostructure of cobalt (Co) and molybdenum carbide (Mo2C) embedded in nitrogen-doped carbon (Mo2C-Co/N-C) by calcination of H3PMo12O40 (PMo12)-encapsulated Zn/Co-ZIF at 900 oC, in which the Co and Mo2C nanoparticles (NPs) are uniformly encapsulated in porous carbon with a high specific surface area of 315.9 m2·g-1 and a pore volume of 0.68 cm3·g-1. The as-prepared Mo2C-Co/N-C exhibits 99.3% degradation efficiency of 100 ppm of tetracycline (TC) within 20 min in the presence of H2O2 with the reaction rate constant k of 0.211 min-1, outperforming most reported Fenton-like catalysts. Moreover, the Mo2C-Co/N-C achieved above 90% removal efficiency for TC at concentrations up to 100 ppm over a wide range of pH values (3.0–9.0) and can also be recycled ten times without an obvious decrease in degradation efficiency, indicating satisfactory reusability and stability. Comprehensive studies demonstrated that the loss of electrons in Co species enhances the specific adsorption of TC and H2O2. Simultaneously, the Mo2C can accelerate the redox cycle of Co2+ → Co3+ → Co2+ and promote the generation of reactive oxygen species (1O2 and · OH) which ensured an improved catalytic activity.
Synergistically Enhanced Thermal and Mechanical Properties of CNT-Modified Docosane@SiO2 Nanocapsules for Advanced Thermal Energy Storage
Yudan Li, Xiaoqi Zhong, Zhengguo Zhang, Ziye Ling, Xiaoming Fang
, Available online  , doi: 10.1016/j.gee.2025.12.012
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This study presents a novel strategy for synthesizing carbon nanotube (CNT)-modified n-docosane@SiO2 (C22@SiO2) phase change nanocapsules with simultaneously enhanced latent heat, thermal conductivity, and mechanical strength. A critical pretreatment step involving the ultrasonic dispersion of CNTs in tetraethyl orthosilicate (TEOS) for ≥3 hours was critical, enabling effective adsorption of TEOS onto CNT surfaces and thereby facilitating their co-encapsulation with C22 within SiO2 shells via interfacial polycondensation. Systematic optimization revealed that a 3-hour dispersion was essential for forming structurally intact capsules, achieving an encapsulation efficiency of 80.2% and a melting enthalpy (ΔHm) of 188.5 J·g-1. The optimal CNT loading of 0.05 g maximized core crystallinity (66.75%) and latent heat (ΔHm: 188.5 J·g-1 vs. 168.3 J·g-1 for unmodified capsules), while reducing the melting point by 2.4 °C due to molecular interactions between CNTs and C22, as confirmed by solid-state 1H NMR. The optimized capsules (denoted as P-CNT-0.05) exhibited a 36.8% higher thermal conductivity (0.52 W·m-1·K-1), a 338.9% increase in Young’s modulus (3964 MPa), near-zero leakage (0.88% mass loss after heating), and stable performance over 100 thermal cycles. This work provides a scalable route to multifunctional phase change nanocapsules with triply enhanced energy storage capacity, heat transfer efficiency, and mechanical durability, demonstrating great potential for advanced thermal management applications.
Tuning hard carbon pore structure via water vapor activation for enhanced sodium-ion storage
Zuqin Duan, Wang Zhou, Ying Mo, Rui Tang, Yan Duan, Aiping Hu, Jilei Liu
, Available online  , doi: 10.1016/j.gee.2025.12.011
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The precise construction of closed pores in carbon anodes is crucial for boosting low-voltage plateau capacity of sodium-ion batteries (SIBs). Traditional closed-pore fabrication methods often face environmental and economic challenges. To address these limitations, this study proposes an innovative synergistic strategy combining water vapor activation with high-temperature repair. By precisely controlling the steam dosage during the 800 °C pre-carbonization stage, a tunable open pore network was constructed in the material, followed by efficient transformation of these open pores into ultra-micropores and closed pores through 1350 °C high-temperature treatment. The study reveals that the volume and size of open pores during pre-carbonization directly determines the final pore structure characteristics. Excessively large and abundant open pores hinder the transformation of the pore architecture during high-temperature treatment. The optimized PRHC2 anode demonstrates outstanding electrochemical performance, delivering a reversible capacity of 377.6 mAh g-1 at 30 mA g-1, including 284.1 mAh g-1 contribution from the plateau region. This research not only addresses the constraints of conventional methods but also provides critical technical support for developing next-generation carbon anode materials.
Organic anion-intercalation boosting intrinsic Cl- capture capability of layered double hydroxide anode for enhanced capacitive deionization
Huazeng Yang, Rui Zhang, Ming Hou, Dongling Li, Jun Cao, Xingtao Xu, Weiwei Zhou, Guangwu Wen, Xiaoxiao Huang, Dong Wang
, Available online  , doi: 10.1016/j.gee.2025.12.001
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Layered double hydroxides (LDH) hold great promise as capacitive deionization (CDI) anode owing to high Cl- capture capacity and abundant interlamellar ions transport channels. However, their narrow interlayer spacing results in sluggish ions diffusion and huge volume variation during Cl- adsorption/desorption, which become worse owing to large ionic radius of Cl-. Herein, we reveal the significant effectiveness of organic anions intercalation on boosting intrinsic Cl- capture capabilities of LDH anode. Compared with traditional inorganic anions-intercalated LDH anode, organic anion-intercalated LDH possess expanded interlayer spacing and increased proportion of highly active divalent metal ions in the host layer. Theoretical calculations unveil that organic anion intercalation endow LDH with stronger Cl- capture ability, faster ions diffusion behaviors, and stronger bonding strength with positively charged host layers. As expected, the prepared seven kinds of organic anion-intercalated LDH anodes all manifest fast pseudocapacitive reaction kinetics and enhanced desalination performance; particularly, sodium dodecyl sulfate (SDS) intercalated LDH (LDH-SDS) anode exhibits large desalination capacity of 58.6 mg g-1 and excellent cyclic stability (76.9% retention ratio over 300 cycles), surpassing most of previously reported LDH-based CDI anodes. A series of in-situ/ex-situ characterizations further reveal outstanding structural stability and electrochemical reversibility of LDH-SDS anode. This work demonstrates great potential of crystal modulation on improving intrinsic ions capture capability of LDH and pave new insights for developing advanced CDI electrode.
Multi-Order Built-In Electric Field Engineering in Vo-ZF@TCN Heterojunctions for Efficient PMS Activation in Photo-Fenton-Like Reactions
Yiwen Wang, Yan Wang, Puyang Zhou, Chenchao Hu, Jia Yan, Yilin Deng, Yu Gan, Meng Xie, Liying Huang, Yuanguo Xu
, Available online  , doi: 10.1016/j.gee.2025.12.003
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The adsorption of PMS and the associated transfer of photogenerated carriers are prerequisites for photo-Fenton activation. In this work, we constructed an S-scheme Vo-ZF@TCN heterojunction with the characteristics of interlayer and in-plane multi-level built-in electric fields (BIEF). It was found that the BIEF amplitude of the in-plane heterojunction was ∼2.7 times that of a traditional heterojunction. The strong BIEF promotes the directional, rapid, and efficient transfer of photogenerated charge carriers, enabling the photostimulated synergistic activation of PMS for the degradation of organic pollutants. The rational design of redox ends promotes the formation of electron-deficient Vo-Fe, which creates Lewis acid adsorption sites. This design constructs a composite site for PMS adsorption and carrier transfer. We elucidated that the directional migration of electrons and holes cause spatial separation of PMS radical and non-radical activation sites and regulates the activation pathways by altering the migration direction of PMS through adsorption. This study provides new insights into the regulation of PMS activation pathways and enriches the design strategies for efficient photogenerated carrier transport and transfer.
Tailoring a photoreactive biomass-based redox coupled material for interaction enhanced removal of Cr(Ⅵ) and As(Ⅲ)
Yuanyuan Hu, Jun Mao, Yichun Xue, Zhanlong Tan, Fei Xue, Yuqian Yang, Lei Wang, Hongxiang Zhu, Hui He
, Available online  , doi: 10.1016/j.gee.2025.12.007
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Reduction and complete removal of chromium (VI) and arsenic (III) are crucial for the purification of heavy metal-contaminated wastewater. Here, a photo-responsive eucalyptus-based adsorption-catalytic material was engineered by anchoring polyethyleneimine, porous carbon, and iron oxide onto eucalyptus. The material featured a high density of amino and Fe(Ⅱ)/Fe(Ⅲ), the ability to generate free radicals and heat upon light irradiation. High toxicity Cr(Ⅵ) and As(Ⅲ) in water were adsorbed onto the material while catalytically converted into less toxic Cr(Ⅲ) and As(Ⅴ) under light conditions. Notably, the valence cycling of Fe(Ⅱ) and Fe(Ⅲ) during the adsorption process played a critical role in facilitating the redox reactions converting Cr(Ⅵ) to Cr(Ⅲ) and As(Ⅲ) to As(Ⅴ). Furthermore, the preferential Cr(Ⅵ) adsorption on the material generated reactive sites for As(Ⅲ) oxidation, accelerating arsenic adsorption. Consequently, the eucalyptus-based adsorption-conversion material was capable of completely removing 100.0 mg·L-1 of Cr(Ⅵ) and As(Ⅲ), achieving over 95% conversion to the less toxic forms. This work elucidated the synergistic mechanisms underlying the adsorption-conversion processes of Cr(Ⅵ) and As(Ⅲ), providing novel insights into the material design of substances with synergistic and competing functionalities.
Hexagonal close-packed Ni (101) facets boost furan ring activation for selective total hydrogenation of biomass-derived 5-hydroxymethylfurfural over carbon-encapsulated Ni catalysts
Conghao Ku, Lihua Du, Huidu Xu, Xucheng Li, Siyuan Long, Zhengli Liu, Ik Seon Kwon, Jeunghee Park, Weiran Yang
, Available online  , doi: 10.1016/j.gee.2025.12.009
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Selective total hydrogenation of biomass-derived 5-hydroxymethylfurfural (HMF) to 2,5-bis(hydroxymethyl)tetrahydrofuran (BHMTHF) under mild condition is crucial in biomass refining, yet dauntingly challenging with non-precious metal catalysts. Herein, the hexagonal-close-packed (hcp) Ni dominated carbon-encapsulated Ni-based catalyst (Ni@C-3) was fabricated via a facile citric acid induced carbonization strategy, which exhibited an outstanding catalytic performance toward the hydrogenation of HMF, achieving a high BHMTHF yield of 95.4% under 70 °C and 2 MPa H2. Additionally, even at high HMF concentrations (2500 mM), it maintained an high BHMTHF yield of 89.7%. The carbon layer, derived from the thermal decomposition of citric acid, effectively prevents the agglomeration of Ni nanoparticles and suppresses the phase transition of hcp-Ni to fcc-Ni. The carbon-encapsulated structure ensures the excellent storage stability and reusability of catalysts. Structure-activity relationship studies demonstrated that the hcp-Ni (101) crystal facets effectively reduce the reaction energy barrier of the rate-determining step (furan ring hydrogenation) during the reaction process, thereby promoting the hydrogenation of HMF to BHMTHF. Furthermore, the Ni@C-3 exhibited excellent catalytic activity in the hydrogenation of compounds containing various functional groups. Notably, furfural can also be hydrogenated to tetrahydrofurfuryl alcohol (THFA) under solvent-free conditions, and the yield of THFA can reach 91.2%. This study provides a facile strategy for designing and developing advanced hydrogenation catalysts based on crystal phase engineering, which makes it a promising alternative to noble metal catalysts in biorefineries.
Discrimination of Single and Binary Gases Using an Intelligent Electronic Nose System Based on Metal Oxide Gas Sensors
Xiaomeng Li, Zhengmao Cao, Jiaming Li, Wu Wang, Qingqing Ye, Behzad Rezaei, Fan Dong
, Available online  , doi: 10.1016/j.gee.2025.12.006
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The pollutants emitted from industrial facilities seriously affect the atmospheric environment and human health. Accurately detecting low-concentration gas pollutants by single metal oxide gas sensors remains a significant challenge. In this study, we developed a novel electronic nose system to precisely discriminate components and concentrations of single and binary gas mixtures. The specific sensor array was constructed with six sensors based on SnO2 and Co3O4 sensing materials. The dataset collected from the electronic nose system was analyzed using k-nearest neighbor (KNN), support vector machine (SVM), random forest (RF), and logistic regression (LR) algorithms. For low-concentration ethanol, ammonia, and toluene, the KNN model accurately discriminated gas components and concentrations, achieving a five-fold cross-validation accuracy of 97.2%. As the number of sensors increased from 3 to 6, the accuracy for the types and concentrations of single and binary mixtures rose from 78.9% to 97.2%. The discrimination results for low-concentration gaseous pollutants demonstrate great potential for real atmospheric quality monitoring and provide an effective solution to the precise detection by metal oxide sensors.
Clostridium butyricum Mineralization of Intracellular Gold Nanoclusters to Boost Biohydrogen Production Using Visible Light
Yaoqiang Wang, Gang Xiao, Jianmin Xing, Haijia Su
, Available online  , doi: 10.1016/j.gee.2025.12.008
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Photocatalytic intracellular biohybrid systems hold great potential for enhancing biohydrogen production using solar energy. yet conventional approaches face nanoparticle toxicity and inefficient transmembrane electron transfer. Here, we developed an intracellular biohybrid system via in-situ biomineralization of gold nanoclusters (Au NCs, 2.15 ± 0.68 nm) within C. butyricum. This biosynthesis leveraged native ion-transport proteins for Au(III) uptake, synthesizing photocatalytically active Au NCs through cysteine-mediated reduction. This intracellular engineering confines photoexcitation and electron transfer within bacterial cells, eliminating transmembrane energy losses. As expected, the photoexcited Au NCs significantly enhanced intracellular NADH regeneration and ATP synthesis versus dark controls, boosting metabolic reducing power and energy. This resulted in a 70.42% increase in hydrogen production (2.34 mol H2·mol-1 glucose). Furthermore, Au NCs eliminated reactive oxygen species (ROS), improving system viability and stability under visible light. This work establishes a platform for engineering biocompatible hybrid systems via endogenous nanophotocatalyst self-assembly.
3D-printing enables geometry-optimized ceramic membranes with minimizing mass transfer resistance for environmental application
Yuanhui Gao, Dong Zou, Ze-xian Nicholas Low, Zhaoxiang Zhong, Weihong Xing
, Available online  , doi: 10.1016/j.gee.2025.12.004
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Membrane separation technology, with its features of high efficiency and environmental sustainability, is playing an increasingly important role in the field of energy conservation and emission reduction. Membrane structure design has shown high advantages in reducing mass transfer resistance and enhancing separation efficiency. In this study, 3D printing technology was employed to fabricate a direct-channel structured alumina-mullite ceramic membrane to enhance membrane separation efficiency. A ceramic slurry was used as raw material to precisely manufacture ceramic membrane as the digital model, achieving high curing depth of 200 μm and low curing width of 50 μm. Moreover, in-situ mullite reaction was employed to form sintering necks among ceramic particles to enhance the bending strength. The effects of solid content and sintering temperature on the membrane properties were systematically investigated. When the solid content was 75 wt% and sintering temperature was 1400 °C, the ceramic membrane with conventional structure exhibited a pore size of 1.1 μm and pure water flux of 1698 L/(m2·h·bar). In contrast, the direct-channel structured ceramic membrane exhibited a high pure water flux of 4700 L/(m2·h·bar), which was ∼3 times higher than those of the conventional ones. This improvement of permeability could be attributed to the optimized mass transfer process that was confirmed via computational fluid dynamics (CFD) simulation. To demonstrate the potential application of this ceramic membrane in the environmental sustainability, oil/water emulsion separation was taken as an example. The membrane demonstrated high separation efficiency of above 99% and a stable water permeance of 130 L/(m2·h·bar) during oil/water emulsion filtration. This work provides a fundamental basis to advance the development of structurally designed ceramic membranes for environmental sustainability.
Engineering Oxygen Vacancy-Rich CoFe2O4@C Core-Shell Microreactors via Defect-Morphology Dual Synergy for Ultrafast Peroxymonosulfate Activation
Long Sui, Zheng-Tao Dong, Yuan Tian, Lei Ma, Cheng-Gang Niu, Ming Yan, Jia-Jia Wang
, Available online  , doi: 10.1016/j.gee.2025.11.006
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This study innovatively employs a "dual-engineering synergy" strategy combining defect engineering and morphological engineering to construct oxygen vacancy (OV)-enriched CoFe2O4@C core-shell microreactors (OV-CFO@C) for efficient peroxymonosulfate (PMS) activation. The optimized OV-CFO@C-500 catalyst exhibits exceptional Fenton-like performance, degrading 97.65% of CIP in 12 min (kobs = 0.2984 min-1, 29.25 times that of PMS alone). Structural characterizations confirm successful OV introduction and core-shell architecture, where carbon cores prevent CoFe2O4 agglomeration while enabling reactant enrichment. Theoretical calculations reveal that core-shell structure and Ov modulate d-band center positions and electron delocalization, synergistically enhancing PMS adsorption energy and electron transfer efficiency. Mechanistic studies identify cooperative radical pathways (•OH/SO4•− contribution: 54.1%) and non-radical electron transfer processes. Notably, the catalyst demonstrates strong recyclability (88.91% CIP removal after 5 cycles), broad pH tolerance (pH 3–9), low metal ion leaching (< 0.06 mg/L), and practical applicability in real water matrices. In continuous-flow degradation systems, 12 h operation achieved sustained removal rates of 96.8% for CIP and 55.2% for total organic carbon (TOC). This study provides new insights into defect-microstructure engineering for advanced oxidation process optimization.
Low-cost industrial feedstocks derived calcium-based pellets assisted by pores regeneration for direct solar-driven thermochemical energy storage
Xinrui Wang, Xianglei Liu, Chao Song, Hangbin Zheng, Yongliang Li
, Available online  , doi: 10.1016/j.gee.2025.11.004
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Calcium-based thermochemical energy storage (TCES) offers unique advantages of high energy density, long-duration energy retention, and high operation temperature, making it ideally suited for next-generation concentrated solar power (CSP) plants. However, the inherently poor cyclic stability and solar absorptance of CaO/CaCO3 limit its commercial viability. Conventional strategy relies on incorporating expensive inert supports and absorption enhancers into Ca-based materials, yet inevitably amplifies production costs. Here, low-cost industrial feedstocks derived Ca-based pellets assisted by pores regeneration are proposed for direct solar-driven thermochemical energy storage. Aluminous cement and manganese sand are used as the inert support and absorption enhancer additive, respectively, serving as cost-effective alternatives to expensive reagents. Composite Ca-based pellets possess a high energy storage density of 953 kJ/kg over 50 calcination/carbonation cycles, which is 2.09 times higher compared with conventional limestones. Direct solar thermochemical energy storage power density achieves as high as 1.68 kW/kg, which is enhanced by 30.2%. The underlying mechanism is attributed to pores regeneration during calcination-carbonation cycles, which are created by differential deformations of active CaO/CaCO3 and thermal pretreated enhanced inert skeletons. Furthermore, it achieves an industry-leading energy storage economy of 4.63 MJ/$, highlighting distinct low-cost advantages compared with similar energy storage materials reported in the literature. This work proposes a cost-effective strategy for engineering Ca-based TCES pellets, bridging the gap between high-performance thermochemical energy storage and scalable industrial applications.
Catalysts for Tar Reforming in Biomass and Solid Waste Gasification: A Comprehensive Review
Tianyue Liu, Xixi Lian, Dong Liang, Shuxiao Wang, Rui Shan, Haoran Yuan, Yong Chen
, Available online  , doi: 10.1016/j.gee.2025.11.003
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Catalytic reforming plays a pivotal role in converting tar produced from the gasification of biomass and municipal solid waste (MSW). This review offers an in-depth discussion of formation processes and major components of tar, as well as the fundamental mechanisms of its catalytic reforming. The review also introduced various catalysts and their deactivation issues, such as active metals (transition metals, noble metals, and alkali metals), supports (metal oxides, carbon-based materials, perovskites, and core-shell structures), and promoters. Meanwhile, it summarized the synergistic interactions between active metals and supports, along with the modulation of catalyst redox properties, metal-support interactions (MSI), and surface acidity/basicity through promoters. Furthermore, the main challenges at industrial scale are summarized: complex chemistry, particle clogging and thermal stress. Current strategies being explored to address these include structured and alloyed catalysts, process integration, catalyst regeneration and simulation optimization. It was expected to further flourish the catalytic reforming in the energy regeneration of biomass and solid waste gasification.
Heat and Hydrogen Co-Production based on Photoresponsive Electrode in the Full-Spectrum SOEC Hybrid System
Chen-Ge Chen, Chenyu Xu, Guangyu Deng, Jinhao Mei, Shiyao Wu, Entao Zhang, Yanwei Zhang, Jing-Li Luo
, Available online  , doi: 10.1016/j.gee.2025.11.002
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Facing the growing demand for clean and efficient energy conversion, this study presents the first full-spectrum SOEC hybrid system that co-produces heat and hydrogen by integrating a photoresponsive electrode. The electrode is directly irradiated to generate an additional photocurrent, thereby boosting hydrogen yield, while spectral splitting technology simultaneously supplies the SOEC with both heat and electricity. A comprehensive modeling framework, including the SOEC, balance of plant, and solar photoresponsive models, is developed to evaluate system energy and water flow and to analyze factor interactions within the photoresponsive material. Under optimized conditions, the system achieves an exergy efficiency of 58.98%, a solar-to-hydrogen (STH) efficiency of 28.30%, and a solar-to-thermal (STT) efficiency of 43.78%, offering new theoretical insights and practical design rules for highly efficient, flexible full-spectrum solar hydrogen production.
Rigid-flexible dual network hydrogel photoelectrodes for ultrafast and stable catalytic degradation of bisphenol A with minimal metal leaching
Xinmiao Qi, Guoxin Ma, Xiang Xiong, Xin Deng, Ping Jiang, Xin Guo, Yiqiang Wu
, Available online  , doi: 10.1016/j.gee.2025.11.001
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Photoelectrocatalytic (PEC) technologies provide a promising and sustainable approach for the elimination of persistent organic pollutants, but their practical deployment is limited by catalyst deactivation and metal leaching. Here, we proposed a rational design strategy to address this challenge by constructing a rigid-flexible dual network hydrogel photoelectrode (CCMPCu) for ultrafast and stable catalytic degradation of bisphenol A (BPA) with minimal metal leaching. CCMPCu was fabricated by incorporating Cu2O@ZIF-67 into a chemically cross-linked chitosan/cellulose nanofibril (CNF)-MXene matrix (rigid network), which was further embedded within an in situ polymerized polyaniline network (flexible network). CCMPCu exhibited a high BPA adsorption capacity of 211.1 ± 6.2 mg g-1, ~4× that of Cu2O@ZIF-67. Under visible light, CCMPCu achieved nearly complete BPA removal (~100%) within 40 min, with a pseudo-first-order rate constant (k = 0.0836 ± 0.0041 min-1), representing a ninefold enhancement over Cu2O@ZIF-67. CCMPCu also showed excellent durability, maintaining over 90% removal efficiency after ten consecutive cycles with negligible Cu (< 5 ppb) and Co (< 8 ppb) leaching. Mechanistic studies revealed that synergistic integration of the rigid-flexible dual network, MXene, and Cu2O@ZIF-67 facilitated pollutant preconcentration and photogenerated charge separation, thereby collectively contributing to the enhanced PEC performance. Additionally, CCMPCu showed broad applicability by effectively degrading structurally diverse bisphenol analogues. This work presents a generalizable strategy for fabricating robust, multifunctional CS/CNF-based hydrogel photoelectrodes and offers valuable insights for the sustainable remediation of endocrine-disrupting contaminants.
A Tunable and Universal Catalyst for Efficient One-Pot Conversion of Xylose to γ-Valerolactone
Qiwen Zhan, Ruonan Zhu, Qingchong Xu, Xingjie Wang, Lihong Zhao, Fengxia Yue, Junli Ren
, Available online  , doi: 10.1016/j.gee.2025.10.012
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The one-pot synthesis of γ-valerolactone (GVL) from xylose is pivotal for sustainable biofuel and fine chemical production. This study introduces a novel catalyst, Hf-LS-Beta, which is tailored for efficient xylose conversion to GVL, subsequently applied in a tandem process for wheat straw pre-hydrolysate catalysis. The catalyst features dispersed Lewis acid active sites formed through Hf and lignosulfonate sodium (LS) coordination within the Beta porous structure, enhancing accessibility. Both the structure and acidic properties of the catalyst were tunable by varying precursor dosages, with optimal performance achieved at a total Lewis acid content of 118-128 μmol/g and a specific surface area of 171-186 m2/g. Under optimized conditions, the Hf (1.5)-LS-Beta (0.4) catalyst delivered the highest GVL yield of 45.71% from xylose and maintained high stability over five cycles. Furthermore, a GVL yield of 29.37% was attained from xylose-rich hydrolysate from wheat straw. This catalyst achieves record-high xylose conversion in isopropanol, efficiently promoting cascade reactions involving dehydration, hydrogenation, ring-opening, and lactonization for GVL formation. Substrate versatility was also demonstrated with the successful conversion of glucose and arabinose, indicating the strong potential for integrated two-step GVL production from lignocellulosic biomass.
Selective Hydrogenolysis of Lignin to Alkene-Functionalized Monomers over ZnO-Modified Carbon Nanotube Supported Pd Catalysts
Wen Zhao, Qun Yu, Bingqing Wei, Lei Nie, Fabio Souza Toniolo, Zhenglong Li
, Available online  , doi: 10.1016/j.gee.2025.10.011
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Although current methods enable lignin extraction and depolymerization, the selective hydrogenolysis of lignin into alkene-functionalized monomers remains a significant scientific challenge. These monomers can be further functionalized into diverse natural products or pharmaceutical intermediates, thereby enabling higher-value utilization of biomass resources. Here, we report a catalyst with low Pd loading (0.4 wt%) supported on ZnO-modified carbon nanotubes (Pd/ZnNC) for the selective catalytic hydrogenolysis of the dimer β-O-4 lignin model compound (veratrylglycerol-β-guaiacyl ether, VG) via distinct reaction pathways. The Pd/ZnNC catalyst achieves a selectivity of 37.5% toward alkene-functionalized monomers (1,2-dimethoxy-4-allylbenzene and 1,2-dimethoxy-4-propenylbenzene), approaching 75% of the theoretical maximum selectivity (50%). In contrast, the Pd/CNT catalyst predominantly produces 3-(3,4-dimethoxyphenyl)-1-propanol, and excessive side-chain saturation of monomers are not conducive to subsequent utilization processes. Moreover, the Pd/ZnNC catalyst achieves a conversion rate seven-fold higher than that of commercial catalysts Pd/C (5 wt%). Experimental characterization results demonstrate that the ZnO sites on carbon nanotubes facilitate the dispersion of Pd nanoparticles, resulting in a reduction in particle size. Furthermore, the synergistic effect between ZnO and Pd active sites promotes the selective catalytic formation of monomers containing unsaturated C=C bonds. The DFT calculations reveal that the Cγ-OH elimination is facilitated by Pd nanoparticles supported on ZnO, which reduces the reaction energy barrier and promotes the generation of propenyl-substituted monomers. The pathway enabled by Pd/ZnNC catalyst offers a great potential for lignin depolymerization into high-value products.
Pearl-Necklace Structured Se-Doped Hollow Carbon Nanofibers for High-Capacity and Ultrastable Potassium Ion Storage
Yali Lu, Huanyu Liang, Xinyu Wang, Hui Zhang, Jing Shi, Weiqian Tian, Jingwei Chen, Yue Zhu, Minghua Huang, Huanlei Wang
, Available online  , doi: 10.1016/j.gee.2025.10.008
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Carbon-based materials are promising anodes for potassium-ion batteries due to their natural abundance and structural stability. However, their practical application remains hindered by limited capacity and poor rate performance. Here, we report the design of selenium-doped hollow carbon nanofibers (SeHCF-x) with a unique pearl necklace-like morphology, synthesized via electrospinning in combination with a SiO2 templating strategy. The hollow architecture ensures intimate electrolyte/electrode contact, reduces K+ diffusion distances, and accommodates volume fluctuations during cycling. Selenium doping introduces abundant defects and active sites, lowers the K+ diffusion energy barrier, and enhances electronic conductivity. As a result, the optimized SeHCF electrode delivers a high reversible capacity of 470 mAh g-1 at 0.05 A g-1 and maintains 167 mAh g-1 at 5 A g-1 after 6000 cycles. Ex-situ analyses reveal a reversible Se/K2Se conversion mechanism that underpins its potassium storage capability. Density functional theory calculations show that selenium doping has a significant contribution to K adsorption and electronic conductivity. When assembled into a potassium-ion hybrid capacitor, the SeHCF anode achieves an energy density of 145 Wh kg-1 and retains 85 % of its capacity after 10000 cycles. This work offers key insights into selenium-doped carbon frameworks and highlights a viable pathway for designing high-performance hollow-structured electrodes in next-generation energy storage systems.
High-Value Utilization of Waste Plastics: Transforming Plastic Polymers into Thin-Walled and Uniform Carbon Nanotubes via Catalytic Pyrolysis
Ning Cai, Siqian Jia, Kunpeng Sun, Jiahui Zhu, Chuanwen Zhao, Haiping Yang
, Available online  , doi: 10.1016/j.gee.2025.10.004
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The high-value utilization of waste plastics plays a crucial role in mitigating plastic pollution. In this work, transition metals were selected as active species, while magnesium oxide, derived from the calcination of basic magnesium carbonate, served as the support material for the generation of thin-walled carbon nanotubes (CNTs). The confined pore structure restricts the migration of reduced iron nanoparticles, promoting the nucleation and growth of small-diameter and thin-walled CNTs. The results show that over 10 wt.% carbon deposits were collected from various types of plastics. The CNTs generated from polyethylene exhibit a diameter of approximately 8 nm and a wall thickness of about 6 layers of graphite. Additionally, Ni-based and Co-based catalysts, polypropylene and polystyrene have also been studied and around 10 nm CNTs were produced. Moreover, this study further demonstrates that excessively high or low temperatures are detrimental to the growth of CNTs. To sum up, this work proposes a novel strategy for recycling waste plastics into smaller-diameters CNTs, offering significant potential for the high-value utilization of waste.
Peroxymonosulfate activation on the S-scheme heterojunction Bi4O5I2/TiO2 photoanode of a photocatalytic fuel cell for degradation of tetracyclines with green power generation
Huizhong Wu, Ruiheng Liang, Yujie Chen, Xiuwu Zhang, Jingyang Liu, Zehua Xia, Ignasi Sirés, Minghua Zhou
, Available online  , doi: 10.1016/j.gee.2025.10.002
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Photocatalytic fuel cells (PFC) are green devices for simultaneous contaminant degradation and power generation. However, their performance is still limited due to the inefficient light capture and poor charge transfer at photoanodes. Here, a PFC has been successfully developed using a Bi4O5I2/TiO2 nanotube arrays (NTAs) S-scheme heterojunction as the photoanode, incorporating peroxymonosulfate (PMS) as synergistic precursor of reactive oxygen species (ROS). A 17-fold increase in rate constant for the degradation of tetracycline (TC) and 6.6-fold increase in maximum power generation was attained in comparison with the TiO2/light PFC system. A systematic analysis elucidating PMS-mediated regulation of ROS generation and electron transfer was performed. The photocatalytic mechanism, dominated by non-radical 1O2 and photogenerated holes (h+), led to a maximum photocurrent density (0.091 mA cm-2) and output power (0.99 mW cm-2). The current work demonstrates the great robustness of heterojunction-based PFC as new self-powered water decontamination systems.
Ionic Liquids for olefin extractive separation from fluid catalytic cracking naphtha: Thermodynamics and molecular mechanisms
Wen-Hai Zhang, Jian Gao, Yue Zhang, Christoph Held, Gangqiang Yu, Hong Meng
, Available online  , doi: 10.1016/j.gee.2025.09.005
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This study investigates the extractive separation of olefins from fluid catalytic cracking (FCC) naphtha using ionic liquids (ILs), from the perspectives of molecular thermodynamics and separation mechanisms. Initially, a representative binary mixture of benzene and 1-hexene was employed to screen various ILs for their separation performance, based on COSMO-RS calculations combined with relevant physicochemical property evaluations. Consequently, 1-ethyl-3-methylimidazolium thiocyanate ([EMIM][SCN]) was identified as the most promising extractant. Subsequently, the liquid-liquid equilibrium (LLE) behavior of ternary systems involving the selected IL and the benchmark solvent sulfolane (SUL) was quantitatively predicted using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT). In this modeling framework, ILs were treated as electrically neutral components due to the significant ion-pair electrostatic interactions in non-aqueous media, thus, the IL-related mixed systems are named as “complex strong electrostatic-hydrogen bonding organic systems”. Finally, quantum chemical (QC) calculations were conducted to elucidate the underlying molecular-level separation mechanism. The results indicate that [EMIM][SCN] exhibits significantly stronger intermolecular interactions with the organic components than SUL, thus accounting for its superior extraction performance. These findings provide valuable insights for the rational design of task-specific ILs for efficient olefin separation in petroleum refining processes.
Carbon nitride-based single-molecular Van der Waals heterojunction for selective photocatalytic CO2 reduction to CO
Hongjun Dong, Chunhong Qu, Jiaming Li, Deping Wang, Min Zhang, Zuoyi Liu, Liqiu Zhang, Chunmei Li
, Available online  , doi: 10.1016/j.gee.2025.09.004
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Single-molecular heterojunctions have demonstrated significant application potential in the fields of photocatalysis due to prominent photoelectric properties, while the charge transfer behavior still need to be further discussed. In this work, a fresh single-molecular Van der Waals heterojunction is fabricated through self-assembly of dibromo(1,10-phenanthroline-κN1,κN10)nickel (NiphenBr) molecules on the surface PCN nanosheets, which dramatically boosts the performance of selective photocatalytic CO2 reduction to CO. This unique assembled architecture effectively regulates electronic band structure and promotes the interfacial transfer and separation of photogenerated carriers owing to the π-π coupling effect between NiphenBr and PCN. Meanwhile, the single-molecular dispersed NiphenBr molecules also prevent their aggregation on PCN under the strong π-π interaction, and further provide abundant single-atom active sites for CO2 reduction reaction. Therefore, the average rate of photocatalytic reduction of CO2 to CO for the optimal NiphenBr/PCN-1 sample reaches 5.46 and 2.73 times that of PCN and NiphenBr, respectively. This work opens a new avenue for the single-molecular heterojunction in the application of photocatalytic reactions.
Enhancing High Volumetric Energy Density of Supercapacitors through Diatomic Reconstruction of Layered Double Hydroxides
Rong Zheng, Lin Sun, Yi Guo, Yu Liu, Qingjun Yang, Wei Zhang, Yulong Ying, Weidong Shi
, Available online  , doi: 10.1016/j.gee.2025.09.001
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Double atom regulation and synergistic phosphorus doping and oxygen vacancy (OV) engineering are effective strategies for optimizing the electronic structure of layered double hydroxides (LDHs). In this study, a self-supporting P-doped OV-(Co0.5Ni0.5)3V2O8 electrode with interpenetrating carbon nanotube networks was synthesized via cation/anion co-reconstruction. Leveraging vanadium's high valence states, the dual-atom system creates a microporous architecture that enables precise charge redistribution, enhancing both electrical conductivity and OH- adsorption capacity. Density functional theory confirms that P-OV synergy reduces charge transfer resistance while optimizing ion diffusion pathways and charge storage kinetics. The optimized electrode achieves outstanding performance: 3807.9 F cm-3 volumetric capacitance at 1 A g-1 and exceptional cycling stability (100% capacity retention over 10000 cycles). Assembled asymmetric supercapacitors deliver 158.1 Wh L-1 energy density at 992 W L-1 power density, surpassing most reported LDH-based devices. This dual-atom charge redistribution mechanism establishes a universal paradigm for designing high-capacity electrodes, addressing critical challenges in energy storage materials through simultaneous electronic structure modulation and microstructural stabilization.
Selective oxidation of high-concentration 5-hydroxymethylfurfural to 2,5-furan dicarboxylic acid at room temperature in water by synergic electronic effect of bimetallic RuCo/NC catalyst
Lihua Du, Conghao Ku, Mengmeng Feng, Junjie Lan, Jeunghee Park, Ik Seon Kwon, Lingzhao Kong, Weiran Yang
, Available online  , doi: 10.1016/j.gee.2025.07.008
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Bio-based 2,5-furandicarboxylic acid (FDCA) has the potential to replace petroleum-based terephthalic acid for the synthesis of high-performance polyester materials, demonstrating broad application prospects. Its primary preparation method involves the selective oxidation of 5-hydroxymethylfurfural (HMF). However, the industrial process is limited by low HMF concentration during the reaction due to the formation of humus resulting from HMF instability especially in high concentration. In this study, a RuCo/NC bimetallic catalyst was fabricated, which can effectively catalyze the selective oxidation of HMF to obtain FDCA at room temperature (25 °C). Side reactions caused by HMF instability were significantly reduced at room temperature, allowing for the application of high-concentration HMF (10 wt%) to achieve an excellent FDCA yield of 91.92% in water. Mechanism studies reveal that a synergistic electronic effect exists between two metals that electrons transfer from Co to Ru to increase the electron density on the surface of Ru nanoparticles, improving oxygen activation ability. Meanwhile, the electron-deficient Co further enhances the adsorption of HMF on the catalyst surface for better reactivity. This study realized the high-concentration HMF aerobic oxidation to FDCA at room temperature in water, paving the way for FDCA to serve as a sustainable substitute for terephthalic acid in polyester production.
Mechanistic insights into the role of N/O-doped biochar in enhanced phenolics production during biomass pyrolysis
Zihang Zhang, Honghui Li, Jinlong Liu, Jusheng Hu, Shurong Wang
, Available online  , doi: 10.1016/j.gee.2025.07.017
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Phenolic compounds are vital chemicals that can be converted into high-density jet fuel components, such as aromatic hydrocarbons or cycloalkanes. Pyrolysis of biomass waste for producing high-value phenolic compounds offers a sustainable approach to waste management and energy conversion. While N/O-doped biochar has demonstrated potential in enhancing phenolics production, its application faces challenges such as complex preparation, high activation temperatures, and unclear catalytic mechanisms. This study addresses these issues by developing a single-step sodium amide (NaNH2) activation method at mild temperatures (<500℃) to produce N/O-doped biochar with optimized catalytic properties. Characterization identified graphitic-N (-GN) and oxidized-N (-ON) configurations, along with aldehyde-O (-CHO) and carboxyl-O (-COOH) groups, as key active sites that enhance catalytic performance. Experimentally, the N/O-doped biochar achieved a phenolics yield of 57.87% at an activation temperature of 400℃, representing a 19.18% increase over non-catalytic conditions. Density functional theory (DFT) calculations further elucidated the role of N and O groups, showing that -GN and -ON in N groups and -CHO and -COOH in O groups lower energy barriers in radical-induced demethoxylation which promotes phenolic product formation. Machine learning analysis identified nucleophilicity and local softness as critical descriptors, indicating that these configurations effectively modulate electron density at active sites. These findings provide a comprehensive mechanistic understanding of how specific N and O functional groups in biochar enhance catalytic efficiency in targeted phenolic production.
Dual-bonded Polyethyleneimine Network with Electron-withdrawing Groups at α, β-sites for Ultra-stable and Low-energy CO2 Capture in Harsh Environments
Tong Zhou, Yunxia Wen, Zhinan Wu, Shuailong Song, Bohong Wu, Hongwei Guo, Huanhao Chen, Xin Feng, Liwen Mu, Xiaohua Lu, Tuo Ji, Jiahua Zhu
, Available online  , doi: 10.1016/j.gee.2024.10.005.
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As an innovative approach to addressing climate change, significant efforts have been dedicated to the development of amine sorbents for CO2 capture. However, the high energy requirements and limited lifespan of these sorbents, such as oxidative and water stability, pose significant challenges to their widespread commercial adoption. Moreover, the understanding of the relationship between adsorption energy and adsorption sites is not known. In this work, a dual-bond strategy was used to create novel secondary amine structures by a polyethyleneimine (PEI) network with electron-extracted (EE) amine sites at adjacent sites, thereby weakening the CO2 binding energy while maintaining the binding ability. In-situ FT-IR and DFT demonstrated the oxygen-containing functional groups adjacent to the amino group withdraw electrons from the N atom, thereby reducing the CO2 adsorption capacity of the secondary amine, resulting in lower regeneration energy consumption of 1.39 GJ·t-1-CO2. In addition, the EE sorbents demonstrated remarkable performance with retention of over 90% of their working capacity after 100 cycles, even under harsh conditions containing 10% O2 and 20% H2O. DFT calculations were employed to clarify for the first time the mechanism that the oxygen functional group at the α-site hinders the formation of the urea structure, thereby being an antioxidant. These findings highlight the promising potential of such sorbents for deployment in various CO2 emission scenarios, irrespective of environmental conditions.
Potassium-doped hydrated manganese dioxide nanowires-carbon nanotube on graphene for high performance rechargeable zinc-ion battery
Ting-Hao Xu, Sin Liou, Fan-Lin Hou, Yuan-Yao Li
, Available online  , doi: 10.1016/j.gee.2021.10.006
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Aqueous rechargeable Zn-ion battery (ARZIB) is a great candidate for the next generation battery due to its high safety, low cost, and relatively high capacity. Here, we develop hydrated and potassium-doped manganese dioxide (MO) nanowires mixed with carbon nanotubes (CNT) on graphene substrates (hydrated KMO-CNT/graphene) for ARZIB. A simple polyol process (poly(ethyl glycol), KMnO4, CNTs, and graphene) is conducted to form the hydrated KMO-CNT/graphene. MnO2 nanowires with diameters of 15–25 nm have a high specific capacity with a short diffusion path. The intercalated K ions and hydrates in the layered MnO2 nanowires remain the MO structure during the charge and discharge process, while carbon nanomaterials (CNTs and graphene) enhance the conductivity of the materials. As a result, the hydrated KMOCNT/graphene demonstrates a good ARZIB performance. A high capacity of 359.8 mAh g-1 at 0.1 A g-1 can be achieved while, at a high current density of 3.0 A g-1, the capacity of 129 mAh g-1 can be obtained with 77% retention after 1000 cycles.

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