Coordination Engineering of Heteronuclear Fe-Mo Dual-Atom Catalyst for Promoted Electrocatalytic Nitrogen Fixation: A DFT Study.

Liu, Xiaojing; Wang, Zhiwei; Feng, Guoning; Sun, Yujie; Zhang, Xintao; Chen, Xin; Sa, Rongjian; Li, Qiaohong; Sun, Chenghua; Ma, Zuju

Liu, Xiaojing; Wang, Zhiwei; Feng, Guoning; Sun, Yujie; Zhang, Xintao; Chen, Xin; Sa, Rongjian; Li, Qiaohong; Sun, Chenghua; Ma, Zuju.

Afiliación

Liu X; School of Environmental and Materials Engineering, Yantai University, Yantai, 264005, China.
Wang Z; School of Environmental and Materials Engineering, Yantai University, Yantai, 264005, China.
Feng G; School of Environmental and Materials Engineering, Yantai University, Yantai, 264005, China.
Sun Y; School of Environmental and Materials Engineering, Yantai University, Yantai, 264005, China.
Zhang X; School of Environmental and Materials Engineering, Yantai University, Yantai, 264005, China.
Chen X; School of Computer and Control Engineering, Yantai University, Yantai, 264005, China.
Sa R; College of Materials and Chemical Engineering, Minjiang University, Fuzhou, 350108, China.
Li Q; State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, 350002, China.
Sun C; Department of Chemistry and Biotechnology Faculty of Science, Engineering & Technology, Swinburne University of Technology, Hawthorn, VIC 3122, Australia.
Ma Z; School of Environmental and Materials Engineering, Yantai University, Yantai, 264005, China.

Chemistry ; 30(6): e202303148, 2024 Jan 26.

Article en En | MEDLINE | ID: mdl-37943116

Palabras clave

Fe−Mo cofactor; coordination environment; density functional theory; dual-atom catalyst; electrocatalytic nitrogen reduction reaction

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chemistry Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Alemania

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