首页|期刊导航|能源与环境材料（英文）|Understanding the Intrinsic Mechanism of High-Performance Electrocatalytic Nitrogen Fixation by Heterogenization of Homonuclear Dual-Atom Catalysts

Understanding the Intrinsic Mechanism of High-Performance Electrocatalytic Nitrogen Fixation by Heterogenization of Homonuclear Dual-Atom Catalysts

Yuefei Zhang Jincheng Liu Xun Zhou Wentao Wang Yu Yang Yu Zhang Xuefei Liu Wenjun Xiao Degui Wang Gang Wang Zhen Wang Jinshun Bi

能源与环境材料（英文）2025，Vol.8Issue(2)：125-139,15.

能源与环境材料（英文）2025，Vol.8Issue(2)：125-139,15.DOI:10.1002/eem2.12803

Understanding the Intrinsic Mechanism of High-Performance Electrocatalytic Nitrogen Fixation by Heterogenization of Homonuclear Dual-Atom Catalysts

Yuefei Zhang ¹Jincheng Liu ²Xun Zhou ¹Wentao Wang ³Yu Yang ¹Yu Zhang ⁴Xuefei Liu ¹Wenjun Xiao ¹Degui Wang ¹Gang Wang ¹Zhen Wang ¹Jinshun Bi¹

作者信息

1. School of Integrated Circuit,Guizhou Normal University,Guiyang 550025,China||School of physics and electronic science,Guizhou Normal University,Guiyang 550025,China
2. Center for Rare Earth and Inorganic Functional Materials,School of Materials Science and Engineering & National Institute for Advanced Materials,Nankai University,Tianjin 300350,China||Haihe Laboratory of Sustainable Chemical Transformations,Tianjin 300192,China
3. Guizhou Provincial Key Laboratory of Computational Nano-Material Science,Guizhou Education University,Guiyang 550018,China
4. Jincheng Research Institute of Opto-mechatronics Industry,Jincheng 048000,China||Shanxi Key Laboratory of Advanced Semiconductor Optoelectronic Devices and Integrated Systems,Jincheng 048000,China
折叠

摘要

关键词

electrocatalyst/first principles/heterogenization of homonuclear/machine learning/nitrogen reduction reaction

Key words

electrocatalyst/first principles/heterogenization of homonuclear/machine learning/nitrogen reduction reaction

引用本文复制引用

Yuefei Zhang,Jincheng Liu,Xun Zhou,Wentao Wang,Yu Yang,Yu Zhang,Xuefei Liu,Wenjun Xiao,Degui Wang,Gang Wang,Zhen Wang,Jinshun Bi..Understanding the Intrinsic Mechanism of High-Performance Electrocatalytic Nitrogen Fixation by Heterogenization of Homonuclear Dual-Atom Catalysts[J].能源与环境材料（英文）,2025,8(2):125-139,15.

基金项目

This work is supported by Guizhou Provincial Basic Research Program(Natural Sci-ence)(Qiankehe Foundation-ZK[2022]General 308,the National Natural Science Foundation of China(Grant No.12164009,52262031,12304259,12005046),QKHJC-ZK[2023]YB284),top scientific and technological talents in Guizhou Province(Qian Jiaoji[2022]No.078),Functional Materials and Devices Technology Innovation Team of Guizhou Province University(Qian Jiaoji[2023]058),the Open Project Program of Shanxi Key Laboratory of Advanced Semicon-ductor Optoelectronic Devices and Integrated Systems(No.2023SZKF01),Key Research and Development Prejects of Shanxi Priovince(202102030201004,202201030201009),and Guizhou Normal University Academic New Talent Fund(No.Guizhou Normal New Talent[2022]06).The work is carried out at Shanxi Supercomputing Center of China,and the calculations are performed on TianHe-2.This work was supported in part by the Construction of Key Technology Inno-vation Talent Team for Micro-Nano Information Devices and Integrated Circuits in Guizhou Province BQW[2024]014.The authors also thank the Supercomputing Center of USTC for providing the computational time. （Natural Sci-ence）

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