Journal of Energy Chemistry最新文献

{"title":"Mg2+-driven triphasic reaction breaking kinetic barriers: Toward ultra-stable and ultrafast sodium-ion polyanionic cathodes","authors":"Yiran Yang ,&nbsp;Wei Zhang ,&nbsp;Yanjiang Zhang ,&nbsp;Shuting Sun ,&nbsp;Wei Wang ,&nbsp;Shan Jin ,&nbsp;Chen Liu ,&nbsp;Tianning Lin ,&nbsp;Xinying Xu ,&nbsp;Zhixin Liu ,&nbsp;Hua Huo ,&nbsp;Meng Chen ,&nbsp;Jinlong Wang ,&nbsp;Ruhong Li ,&nbsp;Changsong Dai","doi":"10.1016/j.jechem.2025.06.050","DOIUrl":"10.1016/j.jechem.2025.06.050","url":null,"abstract":"<div><div>Sodium-ion batteries are promising candidates for next-generation large-scale energy storage owing to their abundance and low cost. Biphasic intercalation reactions, constrained by kinetic limitations and structural instability, fundamentally restrict the rate capability and cycle life of sodium‑ion batteries. However, precise regulation of these reactions to enhance kinetics remains challenging. Here, we propose a strategy of atomic-scale phase engineering to activate the metastable state and achieve a three-phase reaction through precise Mg²⁺ doping at V sites in Na₃V₂(PO₄)₃. The Mg²⁺ occupancy promotes the exchange between Na1 and Na2 sites, thereby stabilizing a Na₂V₂(PO₄)₃ intermediate. First-principles calculations indicate that Mg²⁺ occupation facilitates charge redistribution by weakening Na-O electrostatic interaction, stabilizing the formation of Na₂V₂(PO₄)₃ phase. The optimized cathode exhibits ultrahigh capacity retention (84.5 % after 5000 cycles at 3.51 A g⁻¹), supports ultrafast charging within 120 s, and exceptional rate capability (96.2 mAh g⁻¹ at 4.68 A g⁻¹). This work establishes a universal route to unlock hidden reaction pathways by redefining the role of dopants in phase‑transition control.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"110 ","pages":"Pages 176-185"},"PeriodicalIF":13.1,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144663531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enabling durable sodium storage of Fe-based fluorophosphate cathode via anion substitution","authors":"Zheng Li ,&nbsp;Zechen Li ,&nbsp;Yanzhe Zhang ,&nbsp;Xuanyi Yuan ,&nbsp;Haibo Jin ,&nbsp;Yongjie Zhao","doi":"10.1016/j.jechem.2025.06.044","DOIUrl":"10.1016/j.jechem.2025.06.044","url":null,"abstract":"<div><div>Na₂FePO₄F is a promising sodium ion cathode due to its low cost, non-toxicity, and high stability. However, the sluggish Na⁺ diffusion kinetics and limited intrinsic electronic conductivity critically restrict its worldwide application. Herein, an anion-substitution strategy is proposed with SiO₄⁴⁻ as the dopant. SiO₄⁴⁻ substitution for PO₄³⁻ can apparently alter the localized electronic density and structural configuration in the lattice of Na₂FePO₄F, effectively elevating the charge transfer efficiency. As a result, the electrochemical reaction kinetics of Na₂FePO₄F is significantly enhanced, which is well demonstrated by a series of electrochemical characterizations. As-obtained Na_2.2Fe(PO₄)_0.8(SiO₄)_0.2F renders a specific capacity of 84.9 mA h g⁻¹ within the region of 2.5–4.0 V at 60 mA g⁻¹ (0.5 C), good rate capability, and a capacity retention of 70.0% after 1000 cycles at 1.24 A g⁻¹ (10 C). Furthermore, the stabilities of the cathode-electrolyte interface and structure are strengthened, which are verified by in situ EIS and ex situ XRD analysis. These findings highlight silicate anion substitution as a promising and cost-effective strategy for overcoming the limitations of Na₂FePO₄F, contributing to the development of sustainable energy storage solutions.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"109 ","pages":"Pages 850-858"},"PeriodicalIF":13.1,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144556802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Proton/hydroxide ion dual-pathway interfacial water regulator-assisted surface stabilization in highly reversible Zn metal batteries","authors":"Zhiyong Liao ,&nbsp;Yongbo Fan ,&nbsp;Fang Yan ,&nbsp;Ruizhe Zhang ,&nbsp;Huiqing Fan","doi":"10.1016/j.jechem.2025.06.042","DOIUrl":"10.1016/j.jechem.2025.06.042","url":null,"abstract":"<div><div>Aqueous Zn metal batteries (AZMBs) are plagued by hydrogen evolution and interfacial alkalization induced by water and its decomposition products (H⁺ and OH⁻), which critically undermine the reversibility and cycling stability of zinc plating and stripping. To address this challenge, oxamic acid (OA), a small bipolar molecule containing both carboxyl and amide groups, is proposed as a multifunctional electrolyte additive. OA forms hydrogen bonds with water molecules, thereby reconstructing the hydrogen-bond network and effectively suppressing both proton transport and hydrogen evolution. Meanwhile, OA dynamically scavenges OH⁻ generated from water decomposition, thus mitigating the generation of alkaline byproducts. Additionally, OA is adsorbed onto the zinc surface, promoting the formation of a water-depleted inner Helmholtz layer and limiting the interfacial reactivity of water. Combined ex situ/in situ characterizations, molecular dynamics simulations, and density functional theory (DFT) calculations collectively verify that OA significantly mitigates parasitic reactions and enhances the stability of the Zn/electrolyte interface. As a result, Zn||Zn cells exhibit over 4000 h of stable cycling at 2 mA cm⁻² and a cumulative plating capacity of 6.875 Ah cm⁻² at 5 mA cm⁻². Zn||Cu cells maintain a high Coulombic efficiency of 99.5% over 4500 cycles, Zn||α-MnO₂ full cells retain 80.1% of their capacity after 2000 cycles, and pouch cells retain 81.5% of their capacity after 600 cycles, highlighting the practical feasibility of this interfacial regulation strategy.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"110 ","pages":"Pages 29-39"},"PeriodicalIF":13.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144579708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical-mechanical coupled phase-field modeling for lithium dendrite growth in all-solid-state lithium metal batteries","authors":"Guoqing Qi ,&nbsp;Xunliang Liu ,&nbsp;Xiaoping Yi ,&nbsp;Ruifeng Dou ,&nbsp;Zhi Wen ,&nbsp;Wenning Zhou ,&nbsp;Lin Liu","doi":"10.1016/j.jechem.2025.06.045","DOIUrl":"10.1016/j.jechem.2025.06.045","url":null,"abstract":"<div><div>All-solid-state lithium metal batteries represent leading candidates for the next generation of high-energy-density rechargeable batteries. However, the coupled mechanisms governing dendrite growth and crack propagation within solid-state electrolytes (SSEs) remain inadequately understood. To address this knowledge gap, we propose an electrochemical-mechanical coupled phase-field model designed to simulate the complex processes of lithium deposition and crack propagation in SSEs. This framework systematically examines the influence of initial defect characteristics—including morphology, dimensions, and fracture toughness—on dendrite penetration dynamics. Furthermore, it identifies potential initiation pathways for detrimental lithium deposition within the electrolyte bulk. The model also quantifies the critical role of electrolyte elastic modulus and grain boundary orientation in modulating deposition behavior. Notably, simulation results demonstrate concordance with existing experimental observations, thereby establishing a fundamental theoretical framework for understanding failure mechanisms. This work provides crucial mechanistic insights and predictive capabilities to guide the rational design of failure-resistant SSEs for all-solid-state lithium metal batteries.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"110 ","pages":"Pages 80-87"},"PeriodicalIF":13.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The silver-platinum interaction empowering stable 12-electron ethanol oxidation","authors":"Zi-Hang Wang ,&nbsp;Bin Sun ,&nbsp;Si-Qi Li ,&nbsp;Feng Shi ,&nbsp;Rui-Bin Jiang ,&nbsp;Pei Chen ,&nbsp;Xue Xiao ,&nbsp;Qi Xue ,&nbsp;Yu Chen ,&nbsp;Xuan Ai","doi":"10.1016/j.jechem.2025.06.041","DOIUrl":"10.1016/j.jechem.2025.06.041","url":null,"abstract":"<div><div>Highly active and stable electrocatalysts for ethanol oxidation reaction (EOR) are critical for the widespread adoption of direct ethanol fuel cells (DEFCs). However, the low efficiency of C–C bond cleavage of commercial electrocatalysts not only leads to incomplete ethanol oxidation but also results in the accumulation of poisoning CO species. In this work, silver-platinum hollow nanocubes (AgPt hNCs) are designed and synthesized to achieve high selectivity for the complete 12-electron EOR in an alkaline electrolyte. AgPt hNCs demonstrate a Faradaic efficiency of up to 88.2 % at the potential of 0.70 V for the C1 pathway and exhibit a 6.3-fold EOR mass activity than commercial Pt black at the potential of 0.81 V. Moreover, the oxyphilic nature of Ag imparts exceptional long-term stability to AgPt hNCs. Theoretical calculations reveal that the electronic interaction between Pt and Ag effectively modifies the <em>d</em>-band properties of surface Pt atoms, thereby optimizing the adsorption behavior of key intermediates, promoting the dehydrogenation of CH₃CO* to CH₂CO*, and facilitating C–C bond cleavage. The present work provides both theoretical and experimental insights into the utilization of Ag-based alloy catalysts for high-performance DEFCs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"110 ","pages":"Pages 61-68"},"PeriodicalIF":13.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Deep fluorination-driven fast-charge and high-capacity sodium oxide cathode","authors":"Guomin Li ,&nbsp;Lei Lei ,&nbsp;Yanyi Wang ,&nbsp;Hongwei Mi ,&nbsp;Chuanxin He ,&nbsp;Ning Zhao ,&nbsp;Peixin Zhang ,&nbsp;Dingtao Ma","doi":"10.1016/j.jechem.2025.06.043","DOIUrl":"10.1016/j.jechem.2025.06.043","url":null,"abstract":"<div><div>To advance the application of layered oxide cathodes in fast-charging sodium-ion batteries, it is crucial to not only suppress irreversible phase transitions but also improve the rate capability of cathode materials and optimize Na⁺ diffusion kinetics to ensure high capacity output at various charge-discharge rates. In this research, the targeted F-substitution with a heavy ratio in oxygen anion layer optimizes the Na⁺ diffusion path and electronic conductivity of the material, thereby decreasing the Na⁺ diffusion barrier and imparting high-rate performance. At a 20 C rate, the cathode achieves a capacity of over 80 mAh g⁻¹ with stable cycling performance. Additionally, the dual rivet effect between the transition metal layer and oxygen layer prevents significant phase transitions during charge/discharge within the 2–4.2 V range for the modified cathode. As a result, the F-substituted oxygen anion layer improved Na⁺ diffusion, electronic conductivity, and crystal plane structure stability, which led to the development of a high-performance, fast-charging sodium-ion battery (SIB), opening new avenues for commercial applications.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"109 ","pages":"Pages 941-951"},"PeriodicalIF":13.1,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144657184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ir atomic engineering enabling CuO nanowires for enhanced and durable alkaline oxygen evolution","authors":"Xiao Xu ,&nbsp;Ruikuan Xie ,&nbsp;Wenlie Lin ,&nbsp;Longtian Kang ,&nbsp;Kang Li ,&nbsp;Jiaxin He ,&nbsp;Shoufeng Wang ,&nbsp;Yongyu Pang ,&nbsp;Guoliang Chai ,&nbsp;Zhenhai Wen","doi":"10.1016/j.jechem.2025.06.039","DOIUrl":"10.1016/j.jechem.2025.06.039","url":null,"abstract":"<div><div>Heteroatom doping is a promising strategy for designing cost-effective and stable electrocatalysts toward the oxygen evolution reaction (OER), but the enhancement mechanism remains unclear. Herein, atomic Ir-O-Cu and Ir-O-Ir motifs are engineered into CuO nanowires via cation exchange and dehydration to elucidate the OER mechanism. Systematic characterizations confirm the atomic dispersion of Ir within the CuO lattice and the electron transfer from Ir to CuO while preserving the host structure. The as-prepared single-atom Ir-doped CuO (Ir_SA-CuO), featuring predominant Cu-O-Ir motifs and coexisting Ir-O-Ir motifs, achieves a low OER overpotential of 204 mV at 10 mA cm⁻² in 1 M KOH, coupled with a 69-fold higher mass activity than commercial IrO₂. Furthermore, the Ir_SA-CuO maintains long-term stability for 300 h at 200 mA cm⁻² with minimal overpotential alteration and an additional 120 h at 500 mA cm⁻² with overpotential increased by 15 mV. In situ Raman spectroscopy reveals that the Ir-O-Ir motifs suppress Cu^II oxidation to Cu^III by delaying the onset potential, enhancing the structural stability during OER. Density functional theory calculations demonstrate the Cu-O-Ir motifs lower the adsorption energy of bridged *O via asymmetric bonding, accelerating *OOH formation in the rate-determining step. This work presents a heteroatom engineering strategy to balance electrocatalytic activity and durability, providing a blueprint for industrial electrocatalyst design.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"110 ","pages":"Pages 40-49"},"PeriodicalIF":13.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144594936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unconventional Zn (1 0 2)/(1 0 3) deposition via N-acetylcysteamine-constructed hydrophobic self-assembled layer to suppress dendrites growth","authors":"Leihang Tan ,&nbsp;Chenhui Wang ,&nbsp;Yuexing Lin ,&nbsp;Jingying Sun ,&nbsp;Yan Li ,&nbsp;Gongzheng Yang ,&nbsp;Chengxin Wang","doi":"10.1016/j.jechem.2025.06.040","DOIUrl":"10.1016/j.jechem.2025.06.040","url":null,"abstract":"<div><div>Regulating the crystal texture of zinc deposition is a promising approach to suppress dendrite formation and improve the reversibility of zinc anodes in aqueous zinc-ion batteries. While previous research has mainly focused on developing the Zn (0<!--> <!-->0<!--> <!-->2) texture, investigations into other crystal planes remain scarce. However, exploring alternative crystal planes is crucial for advancing zinc anode performance, as different planes may offer unique advantages in terms of stability and reversibility. Herein, we introduce N-acetylcysteamine (NAC) as an electrolyte additive. It revealed that NAC induces an unexpected exfoliation of the electrodeposited zinc layer, which exhibits preferred orientations along the (1<!--> <!-->0<!--> <!-->2) and (1<!--> <!-->0<!--> <!-->3) planes. Inspired by this anomalous deposition phenomenon, we achieved unconventional Zn (1<!--> <!-->0<!--> <!-->2) and Zn (1<!--> <!-->0<!--> <!-->3) oriented deposition. We demonstrate that NAC molecules adsorb on the Zn surface via thiol groups, modulating the surface energy of different planes to promote the exposure of the two textures. Further characterization, including electrochemical quartz crystal microbalance, electric double-layer capacitance, and contact angle tests, confirms that NAC forms a hydrophobic self-assembled layer, effectively suppressing side reactions. Benefiting from this multifunctional additive, the zinc anode exhibited a long lifespan of 1150 and 780 h under 1 mA cm⁻²/1 mAh cm⁻² and 5 mA cm⁻²/5 mAh cm⁻², respectively. Moreover, the assembled Zn||V₂O₅·H₂O full cells demonstrated prominent electrochemical reversibility. This work not only achieves unconventional Zn (1<!--> <!-->0<!--> <!-->2) and Zn (1<!--> <!-->0<!--> <!-->3) oriented deposition but also provides a novel strategy for designing high-performance zinc-ion batteries.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"110 ","pages":"Pages 69-79"},"PeriodicalIF":13.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Isomers with synergistic effects of multiple functional groups enabling high-performance perovskite solar cells","authors":"Bangbang Yang ,&nbsp;Haojie Sui ,&nbsp;Benlin He ,&nbsp;Minghao Zhang ,&nbsp;Zhe Yang ,&nbsp;Haiyan Chen ,&nbsp;Jialong Duan ,&nbsp;Qunwei Tang","doi":"10.1016/j.jechem.2025.06.038","DOIUrl":"10.1016/j.jechem.2025.06.038","url":null,"abstract":"<div><div>The organics containing multiple Lewis base groups are commonly used as additives to build high-quality perovskite film to improve the performance of perovskite solar cells (PSCs). However, the relationship between the synergistic effects of the multifunctional groups induced by the molecular configuration of the additives and their effect remains to be probed. Herein, the isomeric additives of 2-amino-5-iodobenzoic acid (O-IA) and 4-amino-3-iodobenzoic acid (P-IA) are selected to in detail explore the impact of molecular conformation on their modulation of perovskite film quality. Theoretical and experimental analyses reveal that compared to the adsorption effect formed by the para-position –C=O and –NH₂ groups in P-IA with the adjacent lead ions in the perovskite lattice, the multidentate chelating constituted by the ortho-position –C=O and –NH₂ groups in O-IA with the single lead ions results in its a stronger bonding with the perovskite precursor and the (1<!--> <!-->1<!--> <!-->0) plane of perovskite, which modulates the crystallization and preferential growth of the perovskite film. Additionally, the stronger intermolecular interactions of O-IA and its bonding with perovskite than P-IA more effectively release the strain of perovskite film. Therefore, the O-IA-treated perovskite film exhibits substantially enhanced oriented crystallization, reduced residual strain and defect states, and improved energy level matching. As a result, the unencapsulated air-processed carbon-based PSCs with O-IA achieve a champion power conversion efficiency of 17.50% and superior stability after 480 h of aging in air at 50 °C, 20% relative humidity (RH) and at 25 °C, 85% RH.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"110 ","pages":"Pages 1-9"},"PeriodicalIF":13.1,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144579615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of multifunctional Co3O4-modified ZnIn2S4 photocatalyst for the selective oxidation of biomass-derived 5-hydroxymethylfurfural","authors":"Shan Jiang ,&nbsp;Zhenpan Chen ,&nbsp;Shaofeng Xiong ,&nbsp;Hongxin Zhao ,&nbsp;Xishun Xiao ,&nbsp;Zhigang Shen","doi":"10.1016/j.jechem.2025.06.032","DOIUrl":"10.1016/j.jechem.2025.06.032","url":null,"abstract":"<div><div>The photocatalytic selective oxidation of biomass-derived 5-hydroxymethylfurfural (HMF) offers a sustainable alternative to thermal catalysis. However, the efficiency of this process is significantly limited by inadequate light absorption efficiency and the rapid recombination of photogenerated charge carriers in conventional photocatalysts. Herein, we developed a Co₃O₄/ZnIn₂S₄ (Co₃O₄/ZIS) photocatalyst, in which Co₃O₄ functions as a multifunctional cocatalyst. This photocatalyst significantly enhances the chemisorption and activation of HMF molecules through interfacial oxygen-hydroxyl interactions. Additionally, the incorporation of narrow-band gap Co₃O₄ broadens the optical absorption range of the composite photocatalyst. Besides, integrating Co₃O₄ with ZnIn₂S₄ leads to a 5.9-fold increase in charge separation efficiency compared to pristine ZnIn₂S₄. The optimized Co₃O₄/ZIS-3 photocatalyst (3 wt% Co₃O₄ loading) exhibits exceptional selectivity and yield for 2,5-diformylfuran (DFF) under visible light irradiation, achieving 70.4% DFF selectivity with a 5.4-fold enhancement compared to pristine ZnIn₂S₄. Scavenger experiments and electron spin resonance (ESR) spectroscopy indicate that superoxide radicals (⋅O₂⁻) and h⁺ are the main active species driving the photocatalytic oxidation of HMF. Molecular simulations reveal that the activation of HMF and the transformation of the intermediate *MF to *DFF are more favorable over the Co₃O₄/ZIS composite due to lower activation barriers compared to those over ZnIn₂S₄. Through this work, we aim to design highly efficient and affordable photocatalysts for biomass valorization and contribute valuable insights into the mechanisms of photocatalytic oxidation of HMF.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"109 ","pages":"Pages 830-838"},"PeriodicalIF":13.1,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144548852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}