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physics.chem-ph2026
Molecular dynamics simulations of Nafion thin films at a platinum catalyst surface: Correlating structure with charging behaviour
Dustin Vivod, Binny A. Davis, Tobias Binninger +1
Electrocatalysis is greatly influenced by the local reaction environment, which is governed by the structure of the catalyst, the distribution of the electrolyte, and the local ele…
physics.chem-ph2024
Variational functional theory for coulombic correlations in the electric double layer
Nils Bruch, Tobias Binninger, Jun Huang +1
A classical coulombic correlation functional in one-loop (1L) and local-density-approximation (LDA) is derived for electrolyte solutions, starting from a first-principles many-body…