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DFT study of CO2 activation on pristine and vacancy-containing 2D-GeC monolayers

Kamal Kumar Abhishek Dhasmana Nora H.de Leeuw Jost Adam Abhishek K.Mishra

化学物理材料（英文）2026，Vol.5Issue(1)：50-57,8.

化学物理材料（英文）2026，Vol.5Issue(1)：50-57,8.DOI:10.1016/j.chphma.2025.06.002

DFT study of CO2 activation on pristine and vacancy-containing 2D-GeC monolayers

Kamal Kumar ¹Abhishek Dhasmana ¹Nora H.de Leeuw ²Jost Adam ³Abhishek K.Mishra¹

作者信息

1. Department of Physics,Applied Science Cluster,School of Advanced Engineering,UPES,Dehradun 248007,India
2. Department of Chemistry,University of Leeds,Leeds LS2 9JT,UK||Department of Earth Sciences,Utrecht University,Utrecht 3584 CB,The Netherlands
3. Computational Materials and Photonics,Department of Electrical Engineering and Computer Science(FB 16)and Institute of Physics(FB 10),University of Kassel,Wilhelmshoher Allee 71,Kassel 34121,Germany||Center for Interdisciplinary Nanostructure Science and Technology,University of Kassel,Heinrich-Plett-Straße 40,Kassel 34132,Germany
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摘要

关键词

2D GeC/DFT/CO2 adsorption/Electrocatalysis/Defects

Key words

2D GeC/DFT/CO2 adsorption/Electrocatalysis/Defects

引用本文复制引用

Kamal Kumar,Abhishek Dhasmana,Nora H.de Leeuw,Jost Adam,Abhishek K.Mishra..DFT study of CO2 activation on pristine and vacancy-containing 2D-GeC monolayers[J].化学物理材料（英文）,2026,5(1):50-57,8.

基金项目

Prof.Abhishek K.Mishra(AKM)acknowledges the Science and En-gineering Research Board(SERB)for a state university research excel-lence(SURE)grant(SUR/2022/004935).Via our membership of the UK's HEC Materials Chemistry Consortium,which is funded by EPSRC(EP/X035859),we also acknowledge the use of the ARCHER2 UK Na-tional Supercomputing Service(https://www.archer2.ac.uk).This re-search work was conducted with the financial support,provided by UPES,Dehradun,India. （AKM）

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