ChemCatChem最新文献_第5页

Iridium-Doped Monoclinic Zirconia as a Catalyst for the Oxygen Evolution Reaction 掺铱单斜氧化锆作为析氧反应的催化剂

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500769

Mathias Stokkebye Nissen, Heine Anton Hansen

{"title":"Iridium-Doped Monoclinic Zirconia as a Catalyst for the Oxygen Evolution Reaction","authors":"Mathias Stokkebye Nissen, Heine Anton Hansen","doi":"10.1002/cctc.202500769","DOIUrl":"10.1002/cctc.202500769","url":null,"abstract":"New acid-stable catalysts that reduce reliance on iridium (Ir) for the oxygen evolution reaction (OER) could pave the way for efficient energy conversion and storage. Using DFT this work investigates Ir-dopings of the monoclinic <math></math> (<math></math>) surface as an Ir-lean OER catalyst. It is found that these Ir-doped surfaces are likely to segregate into their constituent oxide phases, <math></math> and <math></math>. The OER activity is limited due to under binding of the OER intermediates on pure <math></math> and overbinding on the Ir-doped surface, both leading to high overpotentials. Water adsorption on the surface layer stabilizes all surfaces, with a more pronounced stabilization observed for the Ir-doped systems. This adsorption significantly impacts the activity for the nondoped surface, as leaving a surface site unoccupied creates a high energy state in the band gap, making the surface highly reactive. A similar situation is found for an Ir-doped surface, contrasted by the formation of lower energy states.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 18","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202500769","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101282","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

Highly Acyclic Selective Cobalt Catalysts for Butadiene Dimerization 丁二烯二聚的高无环选择性钴催化剂

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500788

Joseph H. P. Cockcroft, Gary S. Nichol, Jarle Holt, Joost Smit, Jennifer A. Garden, Stephen P. Thomas

引用次数: 0

Pd(0)-Catalyzed (3 + 3) Annulation of Vinylcyclopropanes and Boronic Acid Derivatives: A Route to Vinyltetralones Pd(0)催化的乙烯基环丙烷和硼酸衍生物的（3 + 3）环化：乙烯基四酮的一条途径

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500775

Krishna Biswas, Dr. Sourav Mondal, Dr. Venkataraman Ganesh

引用次数: 0

Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces 铜表面过渡金属取代杂质对CO分子的多重吸附

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500765

Magnus A. H. Christiansen, Wei Wang, Elvar Ö. Jónsson, Giancarlo Cicero, Hannes Jónsson

{"title":"Multiple Adsorption of CO Molecules on Transition Metal Substitutional Impurities in Copper Surfaces","authors":"Magnus A. H. Christiansen, Wei Wang, Elvar Ö. Jónsson, Giancarlo Cicero, Hannes Jónsson","doi":"10.1002/cctc.202500765","DOIUrl":"10.1002/cctc.202500765","url":null,"abstract":"Copper-based catalysts are of particular interest for electrochemical reduction of <math></math> (CO2RR) as products beyond CO can form. To improve activity and selectivity, several studies have focused on the addition of other elements as substitutional impurities. Although the adsorption of a single CO molecule has often been used as a descriptor for CO2RR activity, our recent calculations using the RPBE functional showed that multiple CO molecules can bind to first-row transition metal impurities. Here, we extend the study to second-row transition metals and also to a functional that explicitly includes dispersion interaction, BEEF-vdW. The binding energy of the first CO molecule on the impurity atom is found to be significantly larger than on the clean Cu(111) and Cu(100) surfaces, but the differential binding energy generally drops as more CO molecules adsorb. The dispersion interaction is found to make a significant contribution to the binding energy, in particular for the last and weakest bound CO molecule, the one that is most likely to participate in CO2RR. In some cases, four CO admolecules can bind more strongly on the impurity atom than on the clean copper surface. The adsorption of CO causes the position of the impurity atom to shift outwards and in some cases, even escape from the surface layer. The C─O stretch frequencies are calculated in order to identify possible experimental signatures of multiple CO adsorption.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 18","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101298","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 Urea Synthesis via C─N Coupling: Catalyst Design and Mechanistic Insights 通过C─N偶联的电催化尿素合成：催化剂设计和机理的见解

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500779

Jinjie Zhuang, Jing Song, Wei Shi, Jiaying Tian, Xinxin Kong, Lu Lu, Peiyong Qin

{"title":"Electrocatalytic Urea Synthesis via C─N Coupling: Catalyst Design and Mechanistic Insights","authors":"Jinjie Zhuang, Jing Song, Wei Shi, Jiaying Tian, Xinxin Kong, Lu Lu, Peiyong Qin","doi":"10.1002/cctc.202500779","DOIUrl":"10.1002/cctc.202500779","url":null,"abstract":"Electrocatalytic urea synthesis has emerged as a promising green strategy for sustainable nitrogen and carbon utilization, which is achieved by coupling CO₂ with small nitrogenous molecules (e.g., N₂, NO₃⁻, NO₂⁻) to form C─N bonds under mild conditions. This review systematically summarizes recent research advances in electrocatalytic urea synthesis, with a focus on catalyst design strategies, reaction mechanisms, and performance optimization. First, diverse catalytic synthesis approaches, such as vacancy engineering, heteroatom doping, crystal facet engineering, atomic-scale modulation, alloying, and heterostructure construction are analyzed to assess their impact on catalytic activity, selectivity, and stability. Then, mechanistic insights into C─N coupling reactions are discussed, including key reaction intermediates, proton-coupled electron transfer processes, and the influence of catalytic active sites on product selectivity. Next, advanced characterization techniques and detection methods for the precise quantification of urea are reviewed. Finally, future challenges and opportunities in electrocatalytic urea synthesis are highlighted. This review aims to provide a comprehensive understanding of electrocatalytic urea synthesis and to guide the rational design of efficient catalysts, thereby accelerating the development of sustainable urea production.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 16","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144905347","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

Group I tert-Amylates: A Comparative Study in Hydrophosphination Reactions I族叔戊酯：氢膦化反应的比较研究

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500752

Dr. Diego R. Javier-Jiménez, Dr. Matthew B. Reuter, Emma J. Finfer, Gavin A. Sicard, Prof. Dr. Rory Waterman

引用次数: 0

From Hydroborations Catalyzed by Sn(II) Cations to Photoluminescent Boronic Esters 从Sn（II）阳离子催化的硼氢化反应到光致发光硼酯

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500462

Ondřej Moždiak, Tomáš Bíza, Lukáš Střižík, Zdeňka Růžičková, Milan Erben, Libor Dostál, Emanuel Hupf, Roman Jambor

{"title":"From Hydroborations Catalyzed by Sn(II) Cations to Photoluminescent Boronic Esters","authors":"Ondřej Moždiak, Tomáš Bíza, Lukáš Střižík, Zdeňka Růžičková, Milan Erben, Libor Dostál, Emanuel Hupf, Roman Jambor","doi":"10.1002/cctc.202500462","DOIUrl":"10.1002/cctc.202500462","url":null,"abstract":"The N-coordinated Sn(II) cations [{(2,6-iPr2-C6H3)-N = C(Me)-(6-MeO)-C5H3N}SnCl](SnCl3) (1), [{(2,6-iPr2-C6H3)-N = C(Me)-(6-P(O)(OiPr)2)-C5H3N}SnCl](SnCl3) (2), and [{(1,2-(C5H4N-2-CH = N)2CH2CH2)}SnCl](SnCl3) (3) were prepared and used as catalysts in the hydroboration of ketones and aldehydes. Mechanistic and kinetic studies provide evidence that these electrophiles interact with the C═O bond of the substrates and indicate a pseudo-first-order reaction with a rate constant of k = 70.2 h−1 using 2 mol% of 1. 1 could effectively be used as a catalyst in the hydroboration of a broad range of substrates including, substituted benzaldehydes, heterocyclic carbaldehydes, and aliphatic aldehydes, as well as ketones. Finally, 1 was used in large-scale hydroboration reactions of pyridine-substituted carbaldehydes to prepare the respective pyridine-substituted boronic esters [2-(PinBOCH2)-C5H4N] (4), [2-(PinBOCH2)-4-(MeO)-C5H3N] (5), [2-(PinBOCH2)-6-(MeO)-C5H3N] (6), [2-(PinBOCH2)-6-Br-C5H3N] (7), [2-(PinBOCH2)-5-Br-C5H3N] (8), [3-(PinBOCH2)-C5H4N] (9), and borinate [2-[(BBN)OCH2]-4-(MeO)-C5H3N] (10), which were characterized by NMR spectroscopy, single-crystal X-ray structure analysis, and an analysis of their photoluminescence.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 18","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202500462","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101278","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

Engineering Low-Cost NiFeMo Bifunctional Catalyst into High-Performance Superaerophobic Nanoarray Electrode for Water and Seawater Electrolysis at Industrial-Scale Current Density 工程低成本NiFeMo双功能催化剂在工业规模电流密度下用于水和海水电解的高性能超疏氧纳米阵列电极

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202501040

Yang Li, Xiao Lin, Yang Yang, Stella Georgiadou, Borui Du, Zhifu Qi, Sina Saremi-Yarahmadi, Wen-Feng Lin

{"title":"Engineering Low-Cost NiFeMo Bifunctional Catalyst into High-Performance Superaerophobic Nanoarray Electrode for Water and Seawater Electrolysis at Industrial-Scale Current Density","authors":"Yang Li, Xiao Lin, Yang Yang, Stella Georgiadou, Borui Du, Zhifu Qi, Sina Saremi-Yarahmadi, Wen-Feng Lin","doi":"10.1002/cctc.202501040","DOIUrl":"10.1002/cctc.202501040","url":null,"abstract":"Hydrogen is produced cleanly through water electrolysis, comprising hydrogen and oxygen evolution reactions (HER and OER). However, expensive catalysts and their complex fabrication processes are significant barriers to the commercialization of the technology. In this study, we report a cost-effective, industrially scalable two-step method of engineering a high-performance bifunctional catalytic electrode based on earth-abundant transition metals for both HER and OER. NiMoOx was first prepared via electrodeposition of Ni and Mo on a Ni foam or fiber paper; subsequently, a porous NiFeOOH thin layer was synthesized via in situ growth on top. Benefiting from having multiple active sites, low charge transfer resistance, and a hydrophilic and superareophobic nanoarray surface that facilitates electrolyte diffusion and rapid gas bubble release, the as-prepared NiFeOOH/NiMoOx electrode demonstrated outstanding bifunctional HER and OER activities and good durability, tested in both half-cells and flow-type alkaline water/seawater electrolyzers, which achieved an industrial scale current density of 2 A cm−2 with a low voltage of 2.19 V/2.37 V.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 18","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202501040","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101279","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

Interface-Controlled Synthesis of Single-Ce and CeOx Catalysts on Copper Oxide Surfaces 铜氧化物表面单ce和CeOx催化剂的界面控制合成

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500609

Yangsheng Li, Kuncheng Chen, Xiaofan Yu, Wugen Huang, Yunjian Ling, Weipeng Shao, Fan Yang

{"title":"Interface-Controlled Synthesis of Single-Ce and CeOx Catalysts on Copper Oxide Surfaces","authors":"Yangsheng Li, Kuncheng Chen, Xiaofan Yu, Wugen Huang, Yunjian Ling, Weipeng Shao, Fan Yang","doi":"10.1002/cctc.202500609","DOIUrl":"10.1002/cctc.202500609","url":null,"abstract":"The rational design of single-atom cerium (single-Ce) catalysts on copper oxides is crucial for understanding structure–activity relationships in Ce-Cu oxide systems. Using scanning tunnelling microscopy (STM) and X-ray photoelectron spectroscopy (XPS), we systematically investigated Ce atom deposition on Cu(111) and Cu2O surfaces under controlled oxygen atmospheres, revealing distinct interfacial behaviors. On Cu(111), Ce atoms readily aggregate into clusters due to weak metal-substrate interactions. In contrast, Cu2O surfaces stabilize single Ce atoms through strong Ce-O bonding, enabling atomic dispersion at 300 K. By controlling surface structure and Ce coverage, we synthesized stable single-Ce catalysts on three distinct Cu2O phases: the metastable “5–7” and ordered “44” and “29” superstructures. Thermal annealing studies (480–550 K) demonstrated that single-Ce and CeOx clusters can dissociate O2 and promote Cu2O oxidation, forming a copper oxide phase with ribbon-like structures. XPS analysis showed a decrease in Ce3+ concentration upon annealing, correlating with enhanced oxygen activation. These findings establish Cu2O as a platform for synthesizing and stabilizing single-Ce catalysts, providing mechanistic insights for further catalytic applications.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 18","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145101280","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

Synthesis and Application of Geminal Halodiborylalkanes: Recent Advances and Future Perspectives 双卤二硼烷的合成与应用研究进展及展望

IF 3.9 3区化学

ChemCatChem Pub Date : 2025-07-15 DOI: 10.1002/cctc.202500708

Yi Wei, Prof. Dr. Kai Hong

引用次数: 0