IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-05 DOI: 10.1002/cctc.71147

Harshita Harshita, Ranjith Kumar Jakku, Murali Sastry, Shanthi Priya Samudrala

{"title":"Bio-Inspired Coordination-Engineered Fe Nanozymes on Zeolite Y for Selective Methane-to-Methanol Conversion","authors":"Harshita Harshita, Ranjith Kumar Jakku, Murali Sastry, Shanthi Priya Samudrala","doi":"10.1002/cctc.71147","DOIUrl":"https://doi.org/10.1002/cctc.71147","url":null,"abstract":"The direct conversion of methane to methanol remains a long-standing catalytic challenge due to the inertness of C─H bond and the susceptibility of methanol to overoxidation. Engineering the local coordination environment of transition-metal sites on porous supports offers a powerful strategy for tuning catalytic reactivity. This work reports a bio-inspired Fe nanozyme catalyst featuring amino acid-coordinated Fe active sites anchored to a FAU-type zeolite Y framework, drawing inspiration from the Fe coordination environment of soluble methane monooxygenase (sMMO). The amino-acid ligands and zeolite Y provide a tailored environment around Fe sites, potentially influencing their coordination properties and catalytic behavior. A series of Fe–amino-acid-modified zeolite Y catalysts are developed by varying Fe loading, ligand identity, ligand-to-support ratio, and activation conditions to investigate relationships between catalyst composition, physicochemical properties, and catalytic performance. Catalytic evaluation using H2O2 as an oxidant demonstrates that reaction parameters significantly influence methanol productivity and selectivity, highlighting the importance of controlling competing oxidation pathways. Under optimized conditions (70°C, 1 h), the catalyst achieves methanol productivity of 99 µmol g cat−1 h−1 with 95% selectivity among quantified liquid oxygenates. These findings highlight that coordination-environment engineering within zeolitic frameworks as a promising strategy for developing bio-inspired heterogeneous catalysts for low-temperature methane valorization.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71147","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149355776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular Architecture of Proton Donors Governs Selectivity in Nonaqueous Electrochemical CO2 Reduction 质子供体的分子结构决定非水电化学CO2还原的选择性

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-05 DOI: 10.1002/cctc.71149

Asitha Gihan Aberathna Ariyathunga Pathiranage, Aidan G. Leichter, Lily Grace Bradford, Wenxiao Guo

{"title":"Molecular Architecture of Proton Donors Governs Selectivity in Nonaqueous Electrochemical CO2 Reduction","authors":"Asitha Gihan Aberathna Ariyathunga Pathiranage, Aidan G. Leichter, Lily Grace Bradford, Wenxiao Guo","doi":"10.1002/cctc.71149","DOIUrl":"https://doi.org/10.1002/cctc.71149","url":null,"abstract":"In electrochemical conversions, electron transfers are mostly coupled with proton transfers, necessitating active and abundant proton donors to achieve optimal reaction rates. However, high proton activity often also compromises the selectivity of the target reactions by competing H2 formation. Therefore, there is an urgent need for strategies that decouple the chemical activity of proton donors from their electrochemical activity. In this study, using nonaqueous electrochemical CO2 reduction as a model, we demonstrate that the molecular architecture of active proton donors can be leveraged to direct them to the proton-coupled electron transfer (PCET) pathway to the target reaction, rather than H2 formation. Using a series of tertiary ammonium proton donors with near-identical pKa but varied structures, we show that increasing the steric hindrance around the proton center suppresses H2 formation kinetics and shifts proton transfer towards CO2 reduction. We further identify structural rigidity as an independent, complementary factor by examining cyclic tertiary ammonium proton donors, which exhibit a distinct enhancement of CO selectivity at more cathodic potentials, attributed to restricted reorientation of the N─H bond at the electrode interface. Our findings establish proton donor molecular architecture as a design lever for selective electrochemical conversions involving PCET.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71149","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149355806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tuning Surface Enrichment in Liquid Metal Catalysts: A Combined DFT, ML-FF, and XPS Study of GaAgPt and GaCuPt 液态金属催化剂的表面富集：GaAgPt和gagpt的DFT、ML-FF和XPS联合研究

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-05 DOI: 10.1002/cctc.71143

Andreas Mölkner, Michael S. Moritz, Christoph Wichmann, Julien Steffen, Andreas Görling, Hans-Peter Steinrück, Christian Papp

{"title":"Tuning Surface Enrichment in Liquid Metal Catalysts: A Combined DFT, ML-FF, and XPS Study of GaAgPt and GaCuPt","authors":"Andreas Mölkner, Michael S. Moritz, Christoph Wichmann, Julien Steffen, Andreas Görling, Hans-Peter Steinrück, Christian Papp","doi":"10.1002/cctc.71143","DOIUrl":"https://doi.org/10.1002/cctc.71143","url":null,"abstract":"Liquid metal catalysts are an emerging field in catalysis with promising outlooks for industry. They combine simple synthesis with high control over the nature of the active sites, which are uniform and isolated. Binary liquid metal alloys were successfully employed in industrially relevant reactions related to C─C and C─H bond activation. They demonstrate poisoning and coking resistance while having high catalytic activity. The focus of this work is to move on to ternary metal alloys and thereby change the nature and abundance of the active site at the surface. The coinage metals Ag or Cu were added to a binary alloy with 1 at% Pt in Ga. These ternary mixtures were investigated using density functional theory (DFT)/machine-learned force-field (ML-FF) and x-ray photoelectron spectroscopy (XPS). The simulations showed the bulk segregation of the coinage metals, which influences the surface concentrations of catalytically active Pt. Specifically, the presence of Ag promotes a surface excess of Pt, whereas Cu leads to its segregation into the bulk. The predictions were reproduced by XPS on macroscopic alloys. The control over the concentration of the active sites in a heterogeneous catalyst system demonstrated here is a crucial step toward the knowledge-based development of liquid metal catalysts.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71143","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149356019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Heterostructure of Co0.85Se and NiFe Layered Double Hydroxide Constructed on Nickel Foam as a Bifunctional Electrocatalyst for Overall Water Splitting Co0.85Se和NiFe层状双氢氧化物在泡沫镍上的异质结构作为双功能电催化剂全面水分解

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-05 DOI: 10.1002/cctc.71140

Senkai Han, Lihong Chen, Wu Li, Wenjia Zhang, Haoyang Luo, Yufan Cao, Zichang Yang, Rong Liu, Shaoshi Guo, Shulan Ma, Huiqin Yao

{"title":"Heterostructure of Co0.85Se and NiFe Layered Double Hydroxide Constructed on Nickel Foam as a Bifunctional Electrocatalyst for Overall Water Splitting","authors":"Senkai Han, Lihong Chen, Wu Li, Wenjia Zhang, Haoyang Luo, Yufan Cao, Zichang Yang, Rong Liu, Shaoshi Guo, Shulan Ma, Huiqin Yao","doi":"10.1002/cctc.71140","DOIUrl":"https://doi.org/10.1002/cctc.71140","url":null,"abstract":"<div>\u0000 \u0000 A hierarchical structure of Co0.85Se and NiFe layered double hydroxide (NiFe-LDH) grown on nickel foam (NF) is fabricated via a two-step electrodeposition strategy. The integration of Co0.85Se with hydrogen evolution reaction (HER) activity and NiFe-LDH with oxygen evolution reaction (OER) activity ensures bifunctional electrocatalytic performance. The as-prepared Co0.85Se@NiFe-LDH/NF catalyst presents low overpotentials of 114 mV for HER and 226 mV for OER at 10 mA cm−2, along with long durability (stability time: ≥45 h for HER, ≥60 h for OER, and ≥50 h for overall water splitting). The optimal morphology of micrometer bouquets composed of ultrathin nanosheets enables maximum exposure of active sites. Density functional theory (DFT) calculations demonstrate that NiFe-LDH significantly contributes to reducing the energy barrier of the rate-determining step (O*→HOO*) in OER, and the synergism of Co0.85Se and NiFe-LDH much decreases the Gibbs free energy of water dissociation (ΔGH2O = 0.07 eV) and hydrogen adsorption (ΔGH* = −0.31 eV) for alkaline HER. Calculated density of states and charge density difference demonstrates that increased carrier density in phase interfaces elevates the conductivity, and interphase electron transfer (NiFe-LDH→Co0.85Se) advance the electrocatalytic activity. This work presents a novel perspective on designing effective electrocatalysts for overall water splitting.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149355805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Biomass-Confined Pyrolysis Strategy for Constructing Ru Single-Atom/Nanoparticles Interface Sites for Efficient Alkaline Hydrogen Evolution 构建Ru单原子/纳米颗粒界面位的生物质受限热解策略

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-05 DOI: 10.1002/cctc.71150

Nanzhe Li, Aoyun Su, Yingping Li, Hui Miao, Binbin Jiang, Konglin Wu

{"title":"Biomass-Confined Pyrolysis Strategy for Constructing Ru Single-Atom/Nanoparticles Interface Sites for Efficient Alkaline Hydrogen Evolution","authors":"Nanzhe Li, Aoyun Su, Yingping Li, Hui Miao, Binbin Jiang, Konglin Wu","doi":"10.1002/cctc.71150","DOIUrl":"https://doi.org/10.1002/cctc.71150","url":null,"abstract":"<div>\u0000 \u0000 Green electricity-driven water electrolysis is a key route for efficient hydrogen production, making the development of low-cost, high-performance electrocatalysts a major research priority. In this study, a biomass confinement-pyrolysis (BCP) strategy was proposed to construct a Ru single-atom sites (SASs) and nanoparticles (NPs) co-modified N, B co-doped porous carbon (Ru/NBC-900) material. Benefiting from the multi-interface structures of SASs and NPs, along with electronic modulation by heteroatom N and B dopants, the Ru/NBC-900 electrocatalyst exhibits outstanding performance for the hydrogen evolution reaction (HER). Under alkaline condition (1 M KOH), it achieves a current density of 10 mA cm−2 at an overpotential of only 9 mV and demonstrates excellent stability. The synergistic interaction between Ru SASs and NPs facilitates rapid dissociation of water molecules, thereby establishing a locally elevated proton concentration and enabling an efficient HER. Furthermore, a two-electrode system assembled from Ru/NBC-900 and commercial RuO2 enables efficient overall water splitting under solar-driven conditions, demonstrating their promising potential for practical applications.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149355807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electrocatalytic Dilute Nitric Oxide Reduction to Ammonia: From Interfacial Regulation to Reactor Engineering 电催化稀一氧化氮还原制氨：从界面调节到反应器工程

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-05 DOI: 10.1002/cctc.71144

Zi-Han Zhang, Bei Wu, Wan-Ying Luo, Yao-Yin Lou

{"title":"Electrocatalytic Dilute Nitric Oxide Reduction to Ammonia: From Interfacial Regulation to Reactor Engineering","authors":"Zi-Han Zhang, Bei Wu, Wan-Ying Luo, Yao-Yin Lou","doi":"10.1002/cctc.71144","DOIUrl":"https://doi.org/10.1002/cctc.71144","url":null,"abstract":"<div>\u0000 \u0000 Nitric oxide (NO), a major atmospheric pollutant emitted from fossil-fuel combustion and industrial processes, poses serious risks to both ecosystems and human health. At the same time, ammonia (NH3) is an essential chemical feedstock and energy carrier, although its conventional production relies on energy-intensive Haber–Bosch synthesis. Compared with nitrogen reduction, nitric oxide reduction reaction (NORR) benefits from the intrinsic reactivity and higher solubility of NO molecules. However, achieving efficient and selective NO-to-NH3 conversion remains challenging due to complex reaction pathways, competitive hydrogen evolution, and limited NO availability under ppm-scale dilute feeds relevant to practical environments. In this review, we provide an overview of recent progress in NORR, covering mechanistic understanding, catalyst design, electrolyte engineering, and reactor optimization. Particular attention is given to strategies for regulating the interfacial microenvironment and improving performance under environmentally relevant ppm-scale NO conditions. Finally, we discuss the major obstacles that still hinder practical implementation and outline future directions for developing efficient and scalable NORR systems for realistic NO remediation and sustainable NH3 electrosynthesis.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149356018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Production of Hydrocarbon Fuels From Palmitic Acid and Related Lipid Feedstocks: Catalytic Nanoarchitectonics for Advanced Performance 从棕榈酸和相关脂质原料生产碳氢燃料：先进性能的催化纳米结构

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-04 DOI: 10.1002/cctc.71142

Haiyu Wei, Yongxiang Chen, Qingsong Luo, Angjian Wu, Sibao Liu, Lei Wang, Zengyi Ma, Lujie Liu, Jianhua Yan

{"title":"Production of Hydrocarbon Fuels From Palmitic Acid and Related Lipid Feedstocks: Catalytic Nanoarchitectonics for Advanced Performance","authors":"Haiyu Wei, Yongxiang Chen, Qingsong Luo, Angjian Wu, Sibao Liu, Lei Wang, Zengyi Ma, Lujie Liu, Jianhua Yan","doi":"10.1002/cctc.71142","DOIUrl":"https://doi.org/10.1002/cctc.71142","url":null,"abstract":"<div>\u0000 \u0000 The catalytic hydroconversion of lipid-derived feedstocks offers a promising route to renewable diesel and sustainable aviation fuels. Palmitic acid, a structurally defined saturated C16 fatty acid, serves as a model substrate for understanding C─O bond cleavage, carbon-chain retention, and hydrocarbon isomerization. Its lack of C═C bonds allows deoxygenation chemistry to be examined without concurrent hydrogenation of unsaturated chains. This review summarizes recent progress in the conversion of palmitic acid and its derivatives into liquid hydrocarbons, focusing on the competition among hydrodeoxygenation, decarboxylation/decarbonylation, hydroisomerization, and cracking pathways. The roles of active metals, oxophilic promoters, acidic supports, and metal-acid cooperation in controlling the formation of linear and branched alkanes are systematically discussed. Mechanistic insights derived from kinetic studies, in situ characterization, and theoretical calculations are integrated to clarify catalyst structure-performance relationships. The discussion is further extended to fatty acid methyl esters (FAMEs), other fatty acids, and palm oil, highlighting the increasing importance of catalyst stability as feedstock complexity increases.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149355761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Metagenomic Discovery of Novel Marine Esterases: Structural Insights Into the Functional Divergence of Cutinase Homologs 新型海洋酯酶的宏基因组发现：角质酶同源物功能分化的结构见解

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-04 DOI: 10.1002/cctc.71141

Oksana Kovalenko, Gülsima Dilek Usluer, İlker Karacan, Kinga Plasa, Anna Kasprzycka, Michał Chyski, Selda Murat Hocaoglu, Artur Góra, Agata Raczyńska

{"title":"Metagenomic Discovery of Novel Marine Esterases: Structural Insights Into the Functional Divergence of Cutinase Homologs","authors":"Oksana Kovalenko, Gülsima Dilek Usluer, İlker Karacan, Kinga Plasa, Anna Kasprzycka, Michał Chyski, Selda Murat Hocaoglu, Artur Góra, Agata Raczyńska","doi":"10.1002/cctc.71141","DOIUrl":"https://doi.org/10.1002/cctc.71141","url":null,"abstract":"<div>\u0000 \u0000 Marine metagenomes represent a vast reservoir of biocatalysts with untapped industrial potential. In this study, we employed a sequence-structure-guided workflow to mine a metagenomic library of over 15.3 million sequences from the Marmara Sea for novel polyurethane (PUR) degrading enzymes. Using Hidden Markov Model (HMM) profiles based on known polymer-degrading cutinases (HiC, TfCut2, LCC) and urethanases (UMG-SP1–3), coupled with AlphaFold2 structural filtration, 13 candidate hydrolases were prioritized. Following heterologous expression in E. coli, six candidates were successfully produced and screened for activity toward selected small substrates and Impranil DLN. Five candidates demonstrated robust esterolytic activity toward 4-nitrophenyl butyrate, but lacked activity against urethane bonds or the polyester-polyurethane (PUR) dispersion Impranil DLN. Strikingly, a retrospective in silico docking analysis using a library of 414 PUR oligomers nevertheless strongly predicted productive polymer binding. Structural analysis indicates that this limitation stems from surface topography, including prominent gating loops and sterically restricted active sites that likely restrict bulky polymer access. Ultimately, this study introduces five novel functional marine esterases, including highly divergent archaeal homologs, and highlights the critical limitations of using in silico docking and simple sequence homology to predict macroscopic polymer degradation.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149355764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

B-Site-Dependent Catalytic Performance in La0.7Sr0.3BO3-δ Anodes for Methane-Assisted High Temperature Electrolysis: A Comparative Study of Co, Fe, and Cr 甲烷辅助高温电解中La0.7Sr0.3BO3-δ阳极的b位依赖催化性能：Co， Fe和Cr的比较研究

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-04 DOI: 10.1002/cctc.71139

Manuel Legrée, Nicolas Bion, Clément Comminges

{"title":"B-Site-Dependent Catalytic Performance in La0.7Sr0.3BO3-δ Anodes for Methane-Assisted High Temperature Electrolysis: A Comparative Study of Co, Fe, and Cr","authors":"Manuel Legrée, Nicolas Bion, Clément Comminges","doi":"10.1002/cctc.71139","DOIUrl":"https://doi.org/10.1002/cctc.71139","url":null,"abstract":"This study presents a comparative investigation of La0.7Sr0.3BO3-δ, (LSB with B═Co, Fe, Cr) anodes for methane assisted high temperature electrolysis (HTE). Simultaneous electrochemical characterization and outgas monitoring helps clarifying the structure-performance-selectivity relationships of these perovskites when operating under methane atmosphere. The depolarization of electrolysis cell by methane oxidation at the anode is evidenced in different experiments. Findings reveal that LSFe and LSCo undergo significant activation under methane, driven by B-site metal segregation and increased surface defects, which enhance their electrochemical performances. In contrast, LSCr demonstrates superior stability but limited depolarization benefit. Two distinct regimes were observed under anodic methane flow: partial oxidation of methane (POM) associated with low cell voltage (below OER defined potential) at low currents and total oxidation of methane (TOM) with markedly increased cell voltage (above OER defined potential), when higher currents were applied. The limit current marking the shift from POM-dominated to TOM-dominated regimes depends on perovskite B site element, methane partial pressure and provides a performance assessment of methane assisted HTE anode systems.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.71139","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149355798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

ZIF-67-Templated Polyhedral Co3O4 via Facile Thermal Air Oxidation for Efficient Hydrogen Generation From NaBH4 Hydrolysis 易热空气氧化zif -67模板多面体Co3O4水解高效制氢研究

IF 4.1 3区化学

ChemCatChem Pub Date : 2026-11-03 DOI: 10.1002/cctc.71145

Eden A. Equbazgi, Atul A. Pawar, Shimelis Kebede Kassahun, Hern Kim

{"title":"ZIF-67-Templated Polyhedral Co3O4 via Facile Thermal Air Oxidation for Efficient Hydrogen Generation From NaBH4 Hydrolysis","authors":"Eden A. Equbazgi, Atul A. Pawar, Shimelis Kebede Kassahun, Hern Kim","doi":"10.1002/cctc.71145","DOIUrl":"https://doi.org/10.1002/cctc.71145","url":null,"abstract":"<div>\u0000 \u0000 This study addresses the slow self-hydrolysis (uncatalyzed hydrolysis) of sodium borohydride (NaBH4) by developing ZIF-67@400 catalysts. Pristine ZIF-67 was synthesized at room temperature and subsequently calcined in air at temperatures ranging from 200°C to 500°C. Among the as-synthesized and thermally treated samples, the catalyst calcined at 400°C (ZIF-67@400) exhibited the highest performance, a hydrogen generation rate (HGR) of approximately 1,212 mL min.-1 g−1 under a catalyst loading of 10 mg with 52.87 mM NaBH4 at room temperature. Under optimized conditions ZIF-67@400, 20 mg of ZIF-67@400 loading, 264 mM NaBH4 and a reaction temperature of 313 K (40°C), the HGR increased to 9,516 mL min−1 g−1. The activation energy (Ea) was calculated to be 65.76 kJ mol−1, which is consistent with values reported in the literature. These findings demonstrate that precise thermal treatment of MOF precursors can substantially enhance catalytic performance, offering an efficient strategy for hydrogen generation.\u0000 </div>","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"18 21","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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