Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations
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DOI: 10.1002/adma.202405230
Abstract: Molecular dynamics (MD) simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous advances in the simulation of… read more here.
Keywords: dynamics simulations; capacitance graphite; quantum capacitance; molecular dynamics ... See more keywords