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Title: Au-111-3x3-CO2-el-06
Authors: Dattila, Federico
Keywords: Electrochemical CO₂ reduction
CO₂ activation
Charged supercell
Water molecules
Electric field
Explicit solvation
Cation
Gold
Issue Date: 7-Jun-2022
Publisher: Institute of Chemical Research of Catalonia
Description: CO2 adsorption on Au(111) 3x3 at electric field -0.6 V/Å and no extra electron in the simulation cell.
URI: https://iochem-bd.iciq.es/browse/handle/100/40173
Appears in Collections:Benchmark-cation-effect-CO2-reduction - DOI: 10.19061/iochem-bd-1-243



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/40173

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