Data underlying the publication: Solvent-mediated outer-sphere CO2 electro-reduction mechanism over Ag111 surface
收藏Figshare2022-03-03 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Data_underlying_the_publication_Solvent-mediated_outer-sphere_CO2_electro-reduction_mechanism_over_Ag111_surface/19142303
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资源简介:
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.
创建时间:
2022-03-03



