Understanding Ionic Diffusion Mechanisms in Li(2)S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

[Image: see text] In order to investigate Li(2)S as a potential protective coating for lithium anode batteries using superionic electrolytes, we need to describe reactions and transport for systems at scales of >10,000 atoms for time scales beyond nanoseconds, which is most impractical for quantu...

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Detalles Bibliográficos
Autores principales: D’Amore, Maddalena, Yang, Moon Young, Das, Tridip, Ferrari, Anna Maria, Kim, Minho M., Rocca, Riccardo, Sgroi, Mauro, Fortunelli, Alessandro, Goddard, William A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694816/
http://dx.doi.org/10.1021/acs.jpcc.3c04991

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694816/
http://dx.doi.org/10.1021/acs.jpcc.3c04991

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