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Manuscript title: Absence of CO₂ electroreduction on copper, gold and silver electrodes without metal cations in solution

Journal: Nature Catalysis

DOI: 10.1038/s41929-021-00655-5

Metadata:

Title: /AIMD AIMD-au-H2O-K-CO2-1001-2000-fs
Authors: Dattila, Federico
Keywords: Explicit solvation
Cation
Gold
Ab initio molecular dynamics
Water molecules
Ab initio calculations
Electrochemical CO₂ reduction
Issue Date: 16-Feb-2021
Publisher: Institute of Chemical Research of Catalonia
Description: Ab initio molecular dynamics simulation for the system au-H2O-K-CO2, where au is 3sqrt3 x 3sqrt3 Au(111); from 1001 to 2000 fs.
URI: https://iochem-bd.iciq.es/browse/handle/100/28089
Appears in Collections:Cation-effect-CO2-reduction - DOI: 10.19061/iochem-bd-1-194



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/28089

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