DFT study of CO2 activation on pristine and vacancy-containing 2D-GeC monolayersOA
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
Department of Physics,Applied Science Cluster,School of Advanced Engineering,UPES,Dehradun 248007,IndiaDepartment of Physics,Applied Science Cluster,School of Advanced Engineering,UPES,Dehradun 248007,IndiaDepartment of Chemistry,University of Leeds,Leeds LS2 9JT,UK||Department of Earth Sciences,Utrecht University,Utrecht 3584 CB,The NetherlandsComputational 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,GermanyDepartment of Physics,Applied Science Cluster,School of Advanced Engineering,UPES,Dehradun 248007,India
2D GeCDFTCO2 adsorptionElectrocatalysisDefects
2D GeCDFTCO2 adsorptionElectrocatalysisDefects
《化学物理材料（英文）》 2026 (1)
50-57,8
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.
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