Why DFT-Based Tight Binding Gives a Better Representation of the Potential at Metal-Solution Interfaces than DFT Does
P. Quaino, J. L. Nuñez, B. Aradi, T. van der Heide, E. Santos, W. Schmickler ChemElectroChem 2023 , e202300 (2023). In modelling electrochemical interfaces it is important to treat electrode and electrolyte