2 papers
cond-mat.mtrl-sci2026
Potential of monolayer charge
Heigo Ers, Ritums Cepitis, Vladislav B. Ivaništšev
In this letter, we develop the concept of the potential of monolayer charge (PMC). Its main purpose is to serve as the fundamental reference potential for studying charged interfac…
cond-mat.mtrl-sci2024
Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations
Kateryna Goloviznina, Johann Fleischhaker, Tobias Binninger +6
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, therm…