Data underlying the publication: Solvent-mediated outer-sphere CO2 electro-reduction mechanism over Ag111 surface

Dataset

Description

This dataset consists of trajectories and coordinates from density functional theory, classical molecular dynamics and ab initio molecular dynamics simulations of CO2 in water with an electrical double layer over the Ag111 surface.
Date made available3 Mar 2022
PublisherTU Delft - 4TU.ResearchData
Date of data production2022 -

Cite this