Author

N. Hörmann

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Preprint Sep 2026

Local Response Theory of Electrified Interfaces from Screened Effective Charges

First-principles, electronic-structure simulations provide direct access to ground-state, global system properties. In the context of computational electrochemistry these are, e.g., bias-dependent energies, free energies, work functions, and capacitances. However, a comparably systematic local description of how these...

N. Hörmann, Nicolas Bergmann, Karsten Reuter · 0 citations

Oct 2026

On the Role of the Interfacial Capacitance in Grand-Canonical Simulations of Electrocatalysis

Common models of the electrochemical interface suggest that the potential response of electron transfer energetics scales linearly with the interfacial capacitance. However, grand-canonical simulations of electrocatalytic adsorption energies, and their dependence on the applied potential, remain remarkably similar wh...

H. Oschinski, Karsten Reuter, N. Hörmann et al. · ACS Electrochemistry · 0 citations