Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

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Authors: Maddalena D’Amore, Moon Young Yang, Tridip Das, Anna Maria Ferrari, Minho M. Kim, Riccardo Rocca, Mauro Sgroi, Alessandro Fortunelli, William A. Goddard

Journal title: The Journal of Physical Chemistry C

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.1021/acs.jpcc.3c04991

ISSN: 1932-7455