Grand-Canonical Model of Electrochemical Double Layers from a Hybrid Density-Potential Functional

Huang, J; Chen, SL; Eikerling, M

Huang, J; Eikerling, M (corresponding author), Forschungszentrum Julich, Inst Energy & Climate Res Theory & Computat Energ, D-52425 Julich, Germany.; Eikerling, M (corresponding author), Rhein Westfal TH Aachen, Fac Georesources & Mat Engn, Chair Theory & Computat Energy Mat, D-52062 Aachen, Germany.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021; 17 (4): 2417

Abstract

A hybrid density-potential functional of an electrochemical interface that encompasses major effects in the contacting metal and electrolyte phases is......

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