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Continuum models of the electrochemical diffuse layer in electronic-structure calculations
This article presents a critical comparison of continuum diffuse-layer models that can be coupled to an atomistic first-principles description of the charged metal surface in order to account for the electrolyte screening at electrified interfaces.
Date:
August 31, 2018
Creator:
Nattino, Francesco; Truscott, Matthew; Marzari, Nicola & Andreussi, Oliviero
System:
The UNT Digital Library