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cond-mat.mtrl-sci2026
Revealing the Role of Confined Molecular H in the Passivation of Defective Silicon Using First-Principles Simulations
Hania Azzam, Tobias Binninger, Benedikt Fischer +2
The passivation of silicon dangling bonds by hydrogen is a crucial requirement for silicon-based optoelectronic technology, especially for solar cells. Recent experiments on intens…
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…