Piecewise nonlinearity and capacitance in the joint density functional theory of extended interfaces

The ab initio simulation of charged interfaces in the framework of density functional theory (DFT) is heavily employed for the study of electrochemical energy conversion processes. The capacitance is the primary descriptor for the response of the electrochemical interface. It is essentially equal to...

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Veröffentlicht in:	Physical review. B 2021-04, Vol.103 (16), Article L161403
1. Verfasser:	Binninger, Tobias
Format:	Artikel
Sprache:	eng
Schlagworte:	Capacitance Curvature Density functional theory Density of states Electrode materials Electrodes Electrolytes Energy conversion Gold Graphene Linearity Physics
Online-Zugang:	Volltext
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