Chem Catalysis最新文献_第2页

Electrochemical ammonia oxidation reaction: Product selectivity, mechanisms, and catalyst strategies 电化学氨氧化反应：产物选择性、机理及催化剂策略

IF 9.4

Chem Catalysis Pub Date : 2026-03-31 DOI: 10.1016/j.checat.2026.101690

Taerin Kim, Hyun Ji An, Yun Jeong Hwang

引用次数: 0

Halide-induced Cu+ sites for efficient CO electroreduction to n-propanol 卤化物诱导的Cu+位有效CO电还原成正丙醇

IF 9.4

Chem Catalysis Pub Date : 2026-03-31 DOI: 10.1016/j.checat.2026.101688

Yun Fan, Yunhui Yan, Zhongcheng Xia, Qizheng An, Yuping Pan, Shifan Leng, Zhonghuan Zhu, Ruiqi Wang, Junhao He, Qinghua Liu, Shuangyin Wang, Yuqin Zou

{"title":"Halide-induced Cu+ sites for efficient CO electroreduction to n-propanol","authors":"Yun Fan, Yunhui Yan, Zhongcheng Xia, Qizheng An, Yuping Pan, Shifan Leng, Zhonghuan Zhu, Ruiqi Wang, Junhao He, Qinghua Liu, Shuangyin Wang, Yuqin Zou","doi":"10.1016/j.checat.2026.101688","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101688","url":null,"abstract":"N-propanol, as an energy-dense fuel, is a desirable product of the electrochemical CO reduction reaction (CORR). However, synthesizing n-propanol is challenging due to inefficient multi-step C–C coupling and the instability of Cu+ species. Herein, we report an electrolyte engineering strategy that utilizes halide ions to stabilize Cu+ within Cu2O electrocatalysts. In situ spectroscopy and theoretical calculations identify ∗CCOH as the key C2 intermediate, with the C–C coupling step being the determining step for n-propanol formation. Furthermore, in situ Raman spectroscopy demonstrates that specifically adsorbed iodide on Cu2O facilitates the formation of Cu0/Cu+ sites, which suppress the hydrogen evolution reaction, enhance CO adsorption, promote ∗CCOH formation, and lower the energy barrier of the C–C coupling. Consequently, this approach achieves efficient n-propanol generation with a Faradaic efficiency of 44.7% ± 0.8% at −0.5 VRHE (reversible hydrogen electrode). This work establishes a rational pathway to stabilize reactive Cu+ species and advances electrocatalytic CO to n-propanol conversion technologies.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"62 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147578133","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

Solvent tuning regulates proton flux to extend stability in reactive CO2 capture and electrolysis 溶剂调谐调节质子通量，以延长在反应CO2捕获和电解中的稳定性

IF 9.4

Chem Catalysis Pub Date : 2026-03-30 DOI: 10.1016/j.checat.2026.101694

Yurou Celine Xiao, Zunmin Guo, Rongyi Wang, Feng Li, Siyu Sonia Sun, Min Liu, Hyeon Seok Lee, Jieyuan Liu, Christine M. Gabardo, Cai Wang, Dan M. Villamanca, Yong Zhao, Kai Han, Rui Kai Miao, Paul J. Corbett, David Sinton

{"title":"Solvent tuning regulates proton flux to extend stability in reactive CO2 capture and electrolysis","authors":"Yurou Celine Xiao, Zunmin Guo, Rongyi Wang, Feng Li, Siyu Sonia Sun, Min Liu, Hyeon Seok Lee, Jieyuan Liu, Christine M. Gabardo, Cai Wang, Dan M. Villamanca, Yong Zhao, Kai Han, Rui Kai Miao, Paul J. Corbett, David Sinton","doi":"10.1016/j.checat.2026.101694","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101694","url":null,"abstract":"Reactive capture of CO2 (RCC) integrates capture and electrochemical conversion processes, offering energy-efficient CO production. RCC systems employing amino-acid-salt-based capture solvents, such as potassium glycinate (K-GLY), exhibit rapid CO2 sorption kinetics and high CO selectivity yet are stable for fewer than 30 h. Lowering K-GLY concentrations unexpectedly reduced lifetime—an effect we attribute to reduced pH buffering and proton flux regulation. From these results, we identify a fundamental limitation of RCC systems: the protons that facilitate in situ CO2 regeneration also accelerate catalyst degradation. By tuning the capture solvent composition and the operating parameters, we balance cathode pH and extend stability to over 75 h at 100 mA cm−2 and over 250 h at 50 mA cm−2. In an integrated absorber-electrolyzer system, this approach generated a ∼95 vol % product stream with ∼5 vol % CO2 and demonstrated an overall CO2 utilization efficiency of 35%.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"7 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147586711","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

Molecular trick to reverse SN2 step in a haloalkane dehalogenase 在卤代烷烃脱卤酶中逆转SN2步骤的分子技巧

IF 9.4

Chem Catalysis Pub Date : 2026-03-30 DOI: 10.1016/j.checat.2026.101687

Martin Toul, Sérgio M. Marques, Tadeja Gao, Hana Bernhardova, Ondrej Vavra, Veronika Novakova, Jiri Damborsky, David Bednar, Zbynek Prokop, Martin Marek

{"title":"Molecular trick to reverse SN2 step in a haloalkane dehalogenase","authors":"Martin Toul, Sérgio M. Marques, Tadeja Gao, Hana Bernhardova, Ondrej Vavra, Veronika Novakova, Jiri Damborsky, David Bednar, Zbynek Prokop, Martin Marek","doi":"10.1016/j.checat.2026.101687","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101687","url":null,"abstract":"Hydrolytic haloalkane dehalogenase enzymes catalyze an SN2 nucleophilic substitution to erase halogen substituents in organohalogen compounds. The acid-base-nucleophile triad secures irreversible SN2 displacement of the halogen for the hydroxyl derived from the water. Catalysis relies on the protonatable imidazole ring of the histidine base, and its substitution with an asparagine traps the enzyme in a covalently bound intermediate state, a principle exploited in the widely used HaloTag technology. By contrast, the histidine-to-phenylalanine substitution triggers reversibility of the SN2 reaction, but the molecular trick by which it reprograms the catalytic pathway remains unknown. Here, we show that the phenylalanine at the site of the histidine base spatially disturbs the adjacent residues, leading to the remodeling of surrounding active-site loops. Consequently, rerouting the access tunnels imparts distinctive kinetic behavior featuring a reversible SN2 chemical step that facilitates transhalogenation reactions. This information is crucial for engineering next-generation biocatalysts for sustainable chemistry.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"20 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147586297","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

Bayesian optimization guides the discovery of high-performance catalysts for direct CO2-to-jet-fuel conversion 贝叶斯优化指导发现用于直接将二氧化碳转化为喷气燃料的高性能催化剂

IF 9.4

Chem Catalysis Pub Date : 2026-03-27 DOI: 10.1016/j.checat.2026.101683

J.L. Santos, D.K. Alsaadi, A. Alahmadi, D. Khizbullin, D. Pugh, A. Genovese, M.H. Alabsi, K.A. Al-Majnouni, M. Khawaji, J.M.R. Gallo, J. Gascon

{"title":"Bayesian optimization guides the discovery of high-performance catalysts for direct CO2-to-jet-fuel conversion","authors":"J.L. Santos, D.K. Alsaadi, A. Alahmadi, D. Khizbullin, D. Pugh, A. Genovese, M.H. Alabsi, K.A. Al-Majnouni, M. Khawaji, J.M.R. Gallo, J. Gascon","doi":"10.1016/j.checat.2026.101683","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101683","url":null,"abstract":"Identifying optimal catalysts for direct CO2-to-fuel conversion is particularly challenging in multicomponent systems, where chemical intuition often overlooks unconventional yet superior formulations. Using a Bayesian optimization framework, we efficiently explored a complex composition-process space and discovered an unexpected Fe/Cu/K ratio of 1/1.8/0.01. This AI/machine-learning (ML)-guided approach delivered a record C5+ yield of 35.8% and the highest reported productivity for CO2-derived Fischer-Tropsch (FT) fuels, with ∼75 wt % of the liquid product in the jet-fuel range (C8–C16). After targeted upgrading, the resulting fuel (ACM-SAF-1) met key specifications, including volatility, flash point, and aromatic content, confirming its viability as a sustainable aviation-fuel (SAF) candidate. This is the first known demonstration of a CO2-FT catalyst producing an SAF with high potential for blending into jet fuel, showcasing ML as a tool for catalyst discovery, challenging conventional design rules, and delivering industrially relevant SAF from CO2.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"418 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147535882","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

Microenvironment control strategies for stable single-atom catalysts in Fenton water treatment 稳定单原子催化剂在Fenton水处理中的微环境控制策略

IF 9.4

Chem Catalysis Pub Date : 2026-03-27 DOI: 10.1016/j.checat.2026.101666

Wenyu Wang, Xiang Li, Yizhe Zhao, Yingjie Meng, Jianzhang Sun, Yue Jiang, Changzheng Cui, Mingyang Xing

引用次数: 0

Spin effects in CO methanation over promoted Ni catalysts Ni催化剂上CO甲烷化的自旋效应

IF 9.4

Chem Catalysis Pub Date : 2026-03-26 DOI: 10.1016/j.checat.2026.101669

Wenqiang Yang, Benjamin Rasmus Grimm, Oliver Christensen, Ang Cao, Zhenbin Wang, Jens K. Nørskov

引用次数: 0

Electricity-driven plasma-thermocatalytic cascade for direct nitrogen fertilizer production from air and water 电驱动等离子体热催化级联，用于从空气和水中直接生产氮肥

IF 9.4

Chem Catalysis Pub Date : 2026-03-26 DOI: 10.1016/j.checat.2026.101661

Suiyang Dai, Yongzhi Zhong, Chongwen Qi, Xin Liu, Yechao Su, Yabo Bian, Yan Liu, Hongliang Li, Jie Zeng

引用次数: 0

In situ and operando characterization of photo/photothermocatalytic CO2 reduction 光/光热催化CO2还原的原位和操作表征

IF 9.4

Chem Catalysis Pub Date : 2026-03-26 DOI: 10.1016/j.checat.2026.101684

Subhajit Chakraborty, Jagmeet Kaur, Amir Mehtab, Sebastian C. Peter

{"title":"In situ and operando characterization of photo/photothermocatalytic CO2 reduction","authors":"Subhajit Chakraborty, Jagmeet Kaur, Amir Mehtab, Sebastian C. Peter","doi":"10.1016/j.checat.2026.101684","DOIUrl":"https://doi.org/10.1016/j.checat.2026.101684","url":null,"abstract":"Converting CO2 into valuable fuels via photo-driven and photothermally driven pathways offers a vital solution to global energy and climate challenges. While catalyst design has advanced, understanding how these materials activate and evolve under realistic conditions remains a hurdle. This review examines in situ and operando techniques that provide real-time monitoring of structural, electronic, and chemical dynamics during solar-driven reduction. By capturing catalyst transformations and identifying key surface intermediates, these tools are essential for decoding complex reaction mechanisms. The discussion highlights the shift toward multimodal approaches, integrating complementary spectroscopic and microscopic methods to build a holistic view of surface reactions. Furthermore, it emphasizes the transformative role of artificial intelligence and machine learning in next-generation platforms to automate analysis and accelerate the optimization of high-performance photocatalysts. By bridging the gap between lab-scale design and real-world application, these diagnostic strategies are central to achieving a sustainable, carbon-neutral future.","PeriodicalId":53121,"journal":{"name":"Chem Catalysis","volume":"4 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147507483","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

Dynamic reconstruction and solvation effects in CO2 reduction catalysts CO2还原催化剂的动态重构和溶剂化效应

IF 9.4

Chem Catalysis Pub Date : 2026-03-26 DOI: 10.1016/j.checat.2026.101664

Xiao Ma, Guangsheng Liu, Wan-Lu Li

引用次数: 0