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physics.comp-ph2019
Temperature-Dependent Lifetimes of Low-Frequency Adsorbate Modes from Non-Equilibrium Molecular Dynamics Simulations
Francesco Nattino, Jörg Meyer
We present calculations on the damping of a low-frequency adsorbate mode on a metal surface, namely the frustrated translation of Na on Cu(100). For the first time, vibrational lif…
physics.comp-ph2018★ 89 cited
Continuum models of the electrochemical diffuse layer in electronic-structure calculations
Francesco Nattino, Matthew Truscott, Nicola Marzari +1
Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity o…