ChemCatChem最新文献_第2页

Decoding d-Band Effects: Impact of Diverse Environments on Cobalt's Catalytic Performance in Oxygen Reduction Reaction 解码d波段效应：不同环境对钴在氧还原反应中催化性能的影响

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-15 DOI: 10.1002/cctc.202500437

Fatima Nasim, Muhammad Arif Nadeem

{"title":"Decoding d-Band Effects: Impact of Diverse Environments on Cobalt's Catalytic Performance in Oxygen Reduction Reaction","authors":"Fatima Nasim, Muhammad Arif Nadeem","doi":"10.1002/cctc.202500437","DOIUrl":"https://doi.org/10.1002/cctc.202500437","url":null,"abstract":"The oxygen reduction reaction (ORR) is a pivotal process in energy transformation technologies such as fuel cells and metal–air batteries. Despite their efficiency, the widespread adoption of these technologies is hindered by the high cost and shortage of precious metal catalysts. Cobalt, with its intrinsic catalytic activity, cost-effectiveness, and abundance, has emerged as a promising alternative. This review explores the advancements in cobalt-based catalysts, focusing on the adjustment of their d-band center (εd), a vital factor influencing catalytic activity. By tailoring the electronic structure through strategies such as nitrogen doping, alloying with transition metals, and surface engineering, significant improvements in ORR efficiency and stability have been achieved. Insights from density functional theory (DFT) have been instrumental in elucidating the relationship between the εd and the adsorption/desorption dynamics of oxygen intermediates. This study highlights the synergistic effects of cobalt with other elements, which enhance electron transfer and optimize binding energies, achieving near-ideal catalytic performance. Furthermore, the review features the challenges of translating these materials to practical applications, emphasizing the need for scalable synthesis methods, enhanced durability, and environmentally sustainable practices. These findings establish cobalt-based catalysts as high-performance alternatives to precious metals, paving the way for their integration into next-generation energy systems.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 14","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144663738","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}

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Metal Stabilization of Metal-Supported Catalysts: Anchoring Strategies and Catalytic Applications in Carbon Resources Conversion 金属负载催化剂的金属稳定性：锚定策略及其在碳资源转化中的催化应用

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-11 DOI: 10.1002/cctc.202500182

Di Wang, Zijian Wang, Jian Xiong, Dr. Zhihao Yu, Prof. Dr. Xuebin Lu

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Progress and Challenges in Electrochemical Glycerol Oxidation: The Importance of Benchmark Methods and Protocols 电化学甘油氧化的进展和挑战：基准方法和协议的重要性

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-06 DOI: 10.1002/cctc.202500152

Hanzhi Ye, Silvia Favero, Helen Tyrrell, Kanyapat Plub-in, Anna Hankin, Reshma R Rao, Ifan E. L Stephens, Maria-Magdalena Titirici, Hui Luo

{"title":"Progress and Challenges in Electrochemical Glycerol Oxidation: The Importance of Benchmark Methods and Protocols","authors":"Hanzhi Ye, Silvia Favero, Helen Tyrrell, Kanyapat Plub-in, Anna Hankin, Reshma R Rao, Ifan E. L Stephens, Maria-Magdalena Titirici, Hui Luo","doi":"10.1002/cctc.202500152","DOIUrl":"https://doi.org/10.1002/cctc.202500152","url":null,"abstract":"Electrochemical oxidation of glycerol presents a strategy to utilize the glycerol byproduct from biodiesel production to co-generate valuable liquid products at the anode and green hydrogen at the cathode, with lower energy requirement than conventional water electrolysis, offering both environmental and economic benefits. This review summarizes recent advancements in electrocatalyst development for glycerol electro-oxidation and highlights the challenges posed by its complex reaction mechanisms, including wide product distribution, multiple binding configurations of reaction species, unstable intermediates, and the coexistence of both Faradaic and non-Faradaic pathways, all of which complicate the identification and quantification of glycerol derivatives using chromatographic and spectroscopic techniques. The review emphasizes the need to establish standardized protocols for electrochemical measurements that are scalable and transferable from rotating disk electrodes (RDE) to membrane electrode assemblies (MEA), as well as for product detection and quantification using high-performance liquid chromatography (HPLC). To enable intra-laboratory comparisons, researchers should provide detailed specifications of experimental setups, conditions, and methodologies for evaluating electrochemical activity, catalyst durability, and calibration standards for product quantification via HPLC. Consistency in reporting experimental data, particularly regarding product selectivity, is crucial but often overlooked. Lastly, this paper discusses the potential of applying in situ techniques to understand the reaction mechanisms at the molecular level and to distinguish between Faradaic and non-Faradaic reaction pathways, while addressing the limitations and difficulties of applying these techniques.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 13","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202500152","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144606422","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}

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Cover Feature: Size, Shape, and Composition Control of Metallic Colloidal Nanoparticles for the Design of Heterogeneous Catalysts (ChemCatChem 11/2025) 封面特征：尺寸，形状和组成控制的金属胶体纳米颗粒的多相催化剂的设计（ChemCatChem 11/2025）

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-06 DOI: 10.1002/cctc.202581102

Esteban Gioria, Raoul Naumann d'Alnoncourt, Arne Thomas, Frank Rosowski

引用次数: 0

Electrochemical Transition Metal Hydride Catalysis 电化学过渡金属氢化物催化

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-06 DOI: 10.1002/cctc.202500348

Xinyi Wang, Depeng Duan, Prof. Lu Song, Prof. Niankai Fu

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Tailored Intermediate Adsorption for Efficient Electrosynthesis of Urea via Co-Reduction of Nitrate and Carbon Dioxide 硝酸和二氧化碳共还原高效电合成尿素的中间吸附

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-05 DOI: 10.1002/cctc.202500277

Dr. Min Zhou, Su Wang, Prof. Dr. Song Yang, Xihong Lu, Prof. Dr. Hu Li

{"title":"Tailored Intermediate Adsorption for Efficient Electrosynthesis of Urea via Co-Reduction of Nitrate and Carbon Dioxide","authors":"Dr. Min Zhou, Su Wang, Prof. Dr. Song Yang, Xihong Lu, Prof. Dr. Hu Li","doi":"10.1002/cctc.202500277","DOIUrl":"https://doi.org/10.1002/cctc.202500277","url":null,"abstract":"Electrocatalytic co-reduction of nitrate (NO3−) and carbon dioxide (CO2) to synthesize urea is expected to be a viable and sustainable replacement for the energy-intensive Haber-Bosch process. The principal hurdles in the synthesis of urea are the inherent inertness of the reactants leading to low coverage of the C─N coupling intermediates, the sluggish kinetics and thermodynamics of the coupling procedure, and the emergence of competing parallel reactions. In this concept, we provide a brief overview of recent advances and involved mechanisms of urea electrosynthesis in terms of tailoring the adsorption behavior of intermediates and reactively coupling intermediates to improve the kinetics and selectivity of C─N coupling. Based on performance data and in situ spectroscopic characterization, the developed strategies focus on enhancing the accessibility of coupling atoms in C/N intermediates while concurrently optimizing active sites. Finally, shortcomings, optimization methods, and opportunities of urea electrosynthesis are summarized with the aim of contributing to the promotion of efficient urea.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 13","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144606420","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

First Row Transition Metals in Olefin Metathesis: The Role of Iron and Manganese 第一排过渡金属在烯烃分解中的作用：铁和锰

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-05 DOI: 10.1002/cctc.202500570

Artur Brotons Rufes, Juan Pablo Martínez, Nicolas Joly, Sylvain Gaillard, Jean Luc Renaud, Sergio Posada Pérez, Albert Poater

{"title":"First Row Transition Metals in Olefin Metathesis: The Role of Iron and Manganese","authors":"Artur Brotons Rufes, Juan Pablo Martínez, Nicolas Joly, Sylvain Gaillard, Jean Luc Renaud, Sergio Posada Pérez, Albert Poater","doi":"10.1002/cctc.202500570","DOIUrl":"https://doi.org/10.1002/cctc.202500570","url":null,"abstract":"Olefin metathesis has traditionally been dominated by molybdenum and ruthenium-based catalysts, but the pursuit of sustainable and earth-abundant alternatives has driven interest in first-row transition metals particularly iron. While iron is an attractive candidate due to its abundance, low toxicity, and cost-effectiveness, significant challenges hinder its successful implementation in metathesis reactions. This review examines the electronic and structural properties of iron that contribute to its catalytic limitations, including high-spin configurations, weak metal-alkylidene interactions, and a pronounced tendency toward cyclopropanation. Computational and experimental efforts to overcome these obstacles are discussed, focusing on ligand design strategies and mechanistic insights. Additionally, the potential of manganese as an alternative to iron is explored. This work underscores the complexities of first-row transition metal catalysts in olefin metathesis and highlights future directions for achieving practical, efficient iron-based systems. Future research should focus on refining ligand architectures to stabilize key intermediates, leveraging computational insights to predict reactivity trends, and further investigating the role of metal oxidation states in metathesis activity. While the transition to first-row transition metals remains a challenge, ongoing advancements continue to push the boundaries of sustainable catalysis, bringing the dream of practical iron- or manganese-based olefin metathesis closer to reality.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 13","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202500570","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144606419","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

Corrigendum to “Targeted Topological Routine Regulation of RuNiOx Precursors for Excellent Alkaline Overall Water Splitting” “RuNiOx前体的定向拓扑常规调节以实现良好的碱性整体水分解”的勘误表

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-06-05 DOI: 10.1002/cctc.202500837

{"title":"Corrigendum to “Targeted Topological Routine Regulation of RuNiOx Precursors for Excellent Alkaline Overall Water Splitting”","authors":"","doi":"10.1002/cctc.202500837","DOIUrl":"https://doi.org/10.1002/cctc.202500837","url":null,"abstract":"Z. Cai, M. Yang, X. Xu, X. Bu, C. Xiao, Y. Yang, D. Yin, Y. Zhang, W. Gao, J. C. Ho, X. Wang, ChemCatChem. \u0000https://doi.org/10.1002/cctc.202401664In the originally published version of this article, the affiliation and contact information for the first author, Ziyan Cai, were incomplete.The correct author information should be:Ziyan Cai[a,b], Minghao Yang[c], Xiaoke Xu[a], Xiuming Bu[a],*, Chuqian Xiao[a], Yikai Yang[a], Di Yin[d], Yuxuan Zhang[d], Wei Gao[e], Johnny C. Ho[d],*, and Xianying Wang[a],*[a]CAS Key Laboratory of Materials for Energy Conversion, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200,050, China. E-mail: [email protected], [email protected][b]Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100,049, China[c]School of Physics and Materials Science, Nanchang University, Nanchang, Jiangxi 330,031, China[d]Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong 999 077, China. E-mail: [email protected][e]State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, 710,072, ChinaThe authors apologize for this oversight. This correction does not affect the results or conclusions of the article.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 13","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.202500837","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144606434","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}

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Advances in Mechanochemical C─H Functionalization: A Comparative Study with Solvent-Based Approaches 机械化学C─H功能化研究进展：与溶剂基方法的比较研究

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-05-31 DOI: 10.1002/cctc.202500457

Nanditha Kattukudiyil Narayanan, Michael Schnürch

引用次数: 0

Electrocatalytic Activity of Post Nb-Doped 2D MoSe2 TMD Toward Highly Effective H2 Evolution Reaction 铌掺杂后二维MoSe2 TMD对高效析氢反应的电催化活性

IF 3.8 3区化学

ChemCatChem Pub Date : 2025-05-31 DOI: 10.1002/cctc.202500157

Vikash Kumar, Himani Joshi, Naveen Sharma, Srimanta Pakhira

{"title":"Electrocatalytic Activity of Post Nb-Doped 2D MoSe2 TMD Toward Highly Effective H2 Evolution Reaction","authors":"Vikash Kumar, Himani Joshi, Naveen Sharma, Srimanta Pakhira","doi":"10.1002/cctc.202500157","DOIUrl":"https://doi.org/10.1002/cctc.202500157","url":null,"abstract":"Designing highly efficient electrocatalysts for various chemical reactions is an important research area in advanced science and technology. The electrocatalyst is essential for the H2 evolution reaction (HER) in order to efficiently lower the reaction energy barriers and produce hydrogen. To date, platinum (Pt)-based catalysts have shown the best performance toward HER due to the optimum hydrogen adsorption energy. However, the expensive, low abundance, and scarcity of Pt-based catalysts limit their commercialization. Therefore, it is necessary to find out precious Pt-free electrocatalysts with low potential reaction barriers. 2D transition metal dichalcogenides (TMDs) have proven to be suitable electrocatalysts for HER. In the present study, we deployed the hybrid DFT method to compute the electrocatalytic performance and evaluate the electronic properties of the 2D monolayer Nb-MoSe2 material for H2 evolution. To investigate the electrocatalysis of the subject material, we have computationally designed a nonperiodic molecular cluster model system Nb1Mo9Se21 which illustrates both the Mo-/Nb-edges (10<math></math>0) and Se-edges (<math></math>010) of the 2D monolayer Nb-MoSe2. The reaction barriers for H*-migration, Heyrovsky, and Tafel transition states (TSs) are 20.63 kcal mol−1, 6.64 kcal mol−1, and 8.91 kcal mol−1, respectively, computed by using the polarizable continuum (PCM) solvation method. The present research demonstrates that the 2D monolayer Nb-MoSe2 follows the Volmer–Heyrovsky reaction mechanism during the HER. The low reaction barrier, high turnover frequency (TOF), and low Tafel slope during the hydrogen formation confirm that the 2D monolayer Nb-MoSe2 proves to be a good electrocatalyst for the HER.","PeriodicalId":141,"journal":{"name":"ChemCatChem","volume":"17 14","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144663810","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