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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 120, 2022 - Issue 14
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Research Article

Exploring CO2 electrochemical reduction mechanism on two-dimensional metal 2,3,6,7,10,11-triphenylenehexathiolate frameworks using density functional theory

Haoyan Zhanga College of Chemical Engineering, Inner Mongolia University of Technology, Inner Mongolia Key Laboratory of Theoretical and Computational Chemistry Simulation, Hohhot 010051, People’s Republic of China;b State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of China
,
Lin Chenga College of Chemical Engineering, Inner Mongolia University of Technology, Inner Mongolia Key Laboratory of Theoretical and Computational Chemistry Simulation, Hohhot 010051, People’s Republic of ChinaCorrespondence[email protected] [email protected]
,
Kai Lib State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of China
,
Ying Wangb State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of ChinaCorrespondence[email protected] [email protected]
&
Zhijian Wub State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of China
Article: e2064785 | Received 19 Mar 2022, Accepted 06 Apr 2022, Published online: 19 Aug 2022

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