Chem Catalysis最新文献_第6页

Arylbismacycle-mediated photocatalytic ambiphilic radical arylations via photoredox quenching cycles 芳基双环通过光氧化还原猝灭循环介导的光催化两亲性芳基化

IF 9.4

Chem Catalysis Pub Date : 2026-07-01 DOI: 10.1016/j.checat.2026.101781

Zugen Wu, Kun Zhu, Emmanuella B. Twumasi, Juan Zhang, Yixin Lu

引用次数: 0

Is faster always better? Rethinking quenching and rate orchestration in photochemical catalysis 越快越好吗？对光化学催化中猝灭和速率编排的再思考

IF 9.4

Chem Catalysis Pub Date : 2026-06-24 DOI: 10.1016/j.checat.2026.101782

Joffrey Scriven, Felix Glaser, Ludovic Troian-Gautier

{"title":"Is faster always better? Rethinking quenching and rate orchestration in photochemical catalysis","authors":"Joffrey Scriven, Felix Glaser, Ludovic Troian-Gautier","doi":"10.1016/j.checat.2026.101782","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101782","url":null,"abstract":"[Display omitted] Joffrey Scriven is a FRIA PhD student at UCLouvain, where his research focuses on mechanistic photoredox catalysis and the synthesis of novel chromium-based photosensitizers. Felix Glaser earned his PhD in 2022 from the University of Basel, where he worked with Prof. O. Wenger on mechanistic photoredox catalysis. After conducing his postdoctoral research on coulombic dyads for energy-transfer applications with Prof. C. Kerzig at the University of Mainz, he joined UCLouvain in 2023 as an F.R.S.-FNRS chargé de recherches (postdoctoral researcher) and now develops innovative iron-based dyads for electron and energy-transfer applications. Ludovic Troian-Gautier is an F.R.S.-FNRS chercheur qualifié (research associate) at UCLouvain and an investigator at the Wel Research Institute, where he leads a research program centered around understanding key fundamental processes that govern excited-state reactivity. Research in his group spans several areas, including excited-state reactivity and charge separation, light-driven solar-fuel production, and mechanistic photoredox catalysis using organic dyes and complexes based on scarce and earth-abundant transition metals.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"50 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148357188","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spatially decoupled La ZnO core shell structure tunes N2 activation and suppresses oxygen evolution 空间解耦的La ZnO核壳结构调节N2活化，抑制氧演化

IF 9.4

Chem Catalysis Pub Date : 2026-06-22 DOI: 10.1016/j.checat.2026.101776

Yuan Yuan, Xitang Qian, Shiyuan Liu, Weiwei Chen, Minglei Lu, Ernest Pahuyo Delmo, Yan Zhang, Yao Yao, Yuxiang Lyu, Yushen Liu, Dong Su, Minhua Shao

{"title":"Spatially decoupled La ZnO core shell structure tunes N2 activation and suppresses oxygen evolution","authors":"Yuan Yuan, Xitang Qian, Shiyuan Liu, Weiwei Chen, Minglei Lu, Ernest Pahuyo Delmo, Yan Zhang, Yao Yao, Yuxiang Lyu, Yushen Liu, Dong Su, Minhua Shao","doi":"10.1016/j.checat.2026.101776","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101776","url":null,"abstract":"Efficient electrocatalytic nitrogen oxidation reaction (eNOR) requires promoting N<ce:inf loc=\"post\">2</ce:inf> activation while minimizing the competing oxygen evolution reaction (OER). A compartmentalized La-ZnO core-shell electrocatalyst is constructed to mimic cellular functional segregation. The crystalline ZnO shell acts as a selective interface that enriches N<ce:inf loc=\"post\">2</ce:inf> and limits OH<ce:sup loc=\"post\">−</ce:sup> adsorption, thereby reducing the OER current. Beneath the shell, a porous amorphous oxygen-deficient core exposes dynamically accessible undercoordinated Zn–O–La sites. These sites promote stabilization of key intermediates, including ∗N<ce:inf loc=\"post\">2</ce:inf>O<ce:inf loc=\"post\">2</ce:inf><ce:sup loc=\"post\">−</ce:sup>, and support stepwise conversion after N<ce:inf loc=\"post\">2</ce:inf> adsorption activation and oxidation. This spatial separation lowers the overall energetic demand along the 10-electron NOR pathway in alkaline electrolyte. The electrocatalyst reaches a Faradaic efficiency of 40.4% and a nitrate yield rate of 11.9 μmol mg<ce:sup loc=\"post\">−1</ce:sup> h<ce:sup loc=\"post\">−1</ce:sup>.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"49 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148312749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Transparent reporting for agentic catalysis enabled by artificial intelligence: Community guidelines and a publication checklist 通过人工智能实现代理催化的透明报告：社区指南和出版物清单

IF 9.4

Chem Catalysis Pub Date : 2026-06-19 DOI: 10.1016/j.checat.2026.101755

Hongliang Xin, John R. Kitchin, Núria López, Neil M. Schweitzer, Milad Abolhasani, Nongnuch Artrith, Líney Árnadóttir, Kamal Choudhary, Rui Ding, Anatoly I. Frenkel, Joseph A. Gauthier, Bryan R. Goldsmith, Amir Barati Farimani, Lars C. Grabow, G.T. Kasun Kalhara Gunasooriya, Guoxiang Hu, Tyler R. Josephson, Heather J. Kulik, Ritesh Kumar, Teodoro Laino, Hao Li, Xiao-Yan Li, Wan-Lu Li, Suljo Linic, Chong Liu, Cong Liu, Fudong Liu, Mingjie Liu, Piao Ma, Andrew J. Medford, Sukrit Mukhopadhyay, Pengfei Ou, Christopher Paolucci, Jiayu Peng, Cory Phillips, Marc D. Porosoff, Long Qi, Shijing Sun, Tibor Szilvási, Johannes Voss, Xiaonan Wang, Kirsten T. Winther, Qin Wu, Di Zhang, Zisheng Zhang

{"title":"Transparent reporting for agentic catalysis enabled by artificial intelligence: Community guidelines and a publication checklist","authors":"Hongliang Xin, John R. Kitchin, Núria López, Neil M. Schweitzer, Milad Abolhasani, Nongnuch Artrith, Líney Árnadóttir, Kamal Choudhary, Rui Ding, Anatoly I. Frenkel, Joseph A. Gauthier, Bryan R. Goldsmith, Amir Barati Farimani, Lars C. Grabow, G.T. Kasun Kalhara Gunasooriya, Guoxiang Hu, Tyler R. Josephson, Heather J. Kulik, Ritesh Kumar, Teodoro Laino, Hao Li, Xiao-Yan Li, Wan-Lu Li, Suljo Linic, Chong Liu, Cong Liu, Fudong Liu, Mingjie Liu, Piao Ma, Andrew J. Medford, Sukrit Mukhopadhyay, Pengfei Ou, Christopher Paolucci, Jiayu Peng, Cory Phillips, Marc D. Porosoff, Long Qi, Shijing Sun, Tibor Szilvási, Johannes Voss, Xiaonan Wang, Kirsten T. Winther, Qin Wu, Di Zhang, Zisheng Zhang","doi":"10.1016/j.checat.2026.101755","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101755","url":null,"abstract":"Artificial intelligence (AI) is increasingly integrated into catalysis science, enabling agentic workflows in which AI systems perceive inputs, reason under constraints, plan, and autonomously execute <ce:italic>in silico</ce:italic> or physical experiments with minimal human intervention. While these closed-loop capabilities hold promise for accelerating catalysis research, they introduce new sources of variability that can undermine rigor and reproducibility (R&R). These risks are particularly pronounced in heterogeneous catalysis, where subtleties in catalyst synthesis, activation, and testing can strongly influence catalytic outcomes. To address these challenges, we introduce TRACE-AI (transparent reporting for agentic catalysis enabled by artificial intelligence) as a set of community guidelines with a publication checklist. TRACE-AI emphasizes end-to-end traceability of catalysis campaigns, linking scientific queries to data and models, reasoning and actions, and the knowledge acquired. By promoting standardized reporting, TRACE-AI aims to cultivate a foundation for accelerating scientific discovery while reinforcing R&R as autonomous catalysis laboratories continue to emerge.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"17 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148312750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Watching catalysts work during CO2 hydrogenation 观察催化剂在二氧化碳加氢过程中的工作

IF 9.4

Chem Catalysis Pub Date : 2026-06-18 DOI: 10.1016/j.checat.2026.101760

Gianfranco Pacchioni

引用次数: 0

Pentanuclear synergy boosts photocatalytic CO2 reduction 五核协同作用促进光催化CO2还原

IF 9.4

Chem Catalysis Pub Date : 2026-06-18 DOI: 10.1016/j.checat.2026.101724

Fei Xue, Yong Xu

引用次数: 0

Privileged pybox scaffolds as a platform for modular enantioselective photocatalysts 优越的pybox支架作为模块化对映选择性光催化剂的平台

IF 9.4

Chem Catalysis Pub Date : 2026-06-18 DOI: 10.1016/j.checat.2026.101779

Xin-Yi Zhang, Qing-Yun Lei, Xiao-Ye Yu, Jia-Rong Chen

引用次数: 0

Metal oxide-promoted calcium cuprate catalysts for diol oxidative dehydrocyclization to lactones 金属氧化物促进铜酸钙催化二醇氧化脱氢合成内酯

IF 9.4

Chem Catalysis Pub Date : 2026-06-18 DOI: 10.1016/j.checat.2026.101777

Daniyal Kiani, Ozge Deniz Bozkurt, Faysal Ibrahim, Jiyun Hong, Adam S. Hoffman, Henry L. Cater, Gabrielle A. Kliegle, Simon R. Bare, Ive Hermans, Gregg T. Beckham

{"title":"Metal oxide-promoted calcium cuprate catalysts for diol oxidative dehydrocyclization to lactones","authors":"Daniyal Kiani, Ozge Deniz Bozkurt, Faysal Ibrahim, Jiyun Hong, Adam S. Hoffman, Henry L. Cater, Gabrielle A. Kliegle, Simon R. Bare, Ive Hermans, Gregg T. Beckham","doi":"10.1016/j.checat.2026.101777","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101777","url":null,"abstract":"This work investigates structure-function relationships in electronically tunable, redox-active, basic Cu-Ca mixed metal oxide catalysts for oxidative dehydrocyclization of liquid diols to lactones. Compositional screening identified Ni<ce:sup loc=\"post\">2+</ce:sup> and Zn<ce:sup loc=\"post\">2+</ce:sup> as effective promoters that increase the surface Cu<ce:sup loc=\"post\">2+</ce:sup> population by ∼1.7× and Cu-normalized activity for liquid 1,4-butanediol conversion to γ-butyrolactone by ∼3–4×. <ce:italic>In situ</ce:italic> Raman spectroscopy, <ce:italic>in situ</ce:italic> X-ray absorption spectroscopy (XAS), <ce:italic>in situ</ce:italic> diffuse-reflectance Fourier transform infrared spectroscopy (DRIFTS), <ce:italic>ex situ</ce:italic> X-ray diffraction (XRD), and H<ce:inf loc=\"post\">2</ce:inf>-temperature-programmed reduction (H<ce:inf loc=\"post\">2</ce:inf>-TPR) show that Ni<ce:sup loc=\"post\">2+</ce:sup> or Zn<ce:sup loc=\"post\">2+</ce:sup> incorporation promotes the formation of Ca<ce:inf loc=\"post\">0.82</ce:inf>Cu<ce:inf loc=\"post\">1.00</ce:inf>O<ce:inf loc=\"post\">2</ce:inf> nanoparticles under mild calcination conditions. This cuprate phase features stronger and shorter Cu–O bonds (1.90 Å) than inactive bulk CuO (1.95 Å) and square-planar Cu<ce:sup loc=\"post\">2+</ce:sup>O<ce:inf loc=\"post\">4</ce:inf> sites with enhanced d<ce:inf loc=\"post\">z2</ce:inf> electrophilicity, strengthening alkoxy adsorption. Pyridine-DRIFTS confirms the purely basic nature of the catalyst surface, while methanol-DRIFTS indicates Cu<ce:sup loc=\"post\">2+</ce:sup> surface enrichment with Ni or Zn promotion, where Cu–O(Ca)–Cu sites can exist as amorphous domains or a truncation layer on crystalline nanoparticles.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"33 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148312751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Surface hydroxyl participation enables efficient alkaline oxygen evolution on double perovskites for anion exchange membrane water electrolyzers 表面羟基的参与使阴离子交换膜水电解槽的双钙钛矿上有效的碱性析氧

IF 9.4

Chem Catalysis Pub Date : 2026-04-16 DOI: 10.1016/j.checat.2026.101717

Lingjie Yuan, Shaohuan Hong, Chenguang Liang, Bin Chen, Jiayi Tang, Chang-Yang Kuo, Chien-Te Chen, Ting-Shan Chan, Cheng-Wei Kao, Huanhuan Tao, Zhongliang Dong, Min Yi, Zhiwei Hu, Feng Gong, Yinlong Zhu

{"title":"Surface hydroxyl participation enables efficient alkaline oxygen evolution on double perovskites for anion exchange membrane water electrolyzers","authors":"Lingjie Yuan, Shaohuan Hong, Chenguang Liang, Bin Chen, Jiayi Tang, Chang-Yang Kuo, Chien-Te Chen, Ting-Shan Chan, Cheng-Wei Kao, Huanhuan Tao, Zhongliang Dong, Min Yi, Zhiwei Hu, Feng Gong, Yinlong Zhu","doi":"10.1016/j.checat.2026.101717","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101717","url":null,"abstract":"The starvation of OH− reactants around the anode surface caused by rapid consumption during the alkaline oxygen evolution reaction (OER) is a critical problem limiting the development of anion exchange membrane water electrolyzers (AEMWEs). Here, we present a high-valence Lewis acid incorporation strategy to enrich OH− adsorption for optimizing alkaline OER performance and for the first time demonstrate direct participation of surface hydroxyl in the alkaline OER. In particular, the optimized Sr2CoMoO6 (SCMO) with the strongest surface hydroxylation exhibits excellent alkaline OER activity and AEMWE device performance when adopted as a noble-metal-free anode electrocatalyst, achieving an industrial current density of 1 A cm−2 at a low voltage of 1.83 V and steadily operating for 100 h. Combined experimental and theoretical investigations verify that the surface hydroxyls in SCMO participate in the OER via an unusual hydrogen-bond-assisted surface hydroxyl participation mechanism. These findings offer new insights into hydroxyl electrocatalysis for AEMWE applications.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"423 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147719894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Aluminum redox catalysis, at long last 铝氧化还原催化，终于实现了

IF 9.4

Chem Catalysis Pub Date : 2026-04-16 DOI: 10.1016/j.checat.2026.101696

Chengli Mou, Guanjie Wang, Yonggui Robin Chi

引用次数: 0