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Title: Au-111-3x3-CO2-K+-el-02-1e
Authors: Dattila, Federico
Keywords: CO₂ activation
Cation
Explicit solvation
Electrochemical CO₂ reduction
Charged supercell
Gold
Water molecules
Electric field
Issue Date: 16-Apr-2022
Publisher: Institute of Chemical Research of Catalonia
Politecnico di Torino
Description: CO2 adsorption on Au(111) 3x3 in presence of a K+ solvated cation at electric field -0.2 V/Å and 1 extra electron in the simulation cell.
URI: https://iochem-bd.iciq.es/browse/handle/100/39490
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/100/39490

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