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An Ab Initio and Kinetic Monte Carlo Simulation Study of Lithium Ion Diffusion on Graphene

The Li(+) diffusion coefficients in Li(+)-adsorbed graphene systems were determined by combining first-principle calculations based on density functional theory with Kinetic Monte Carlo simulations. The calculated results indicate that the interactions between Li ions have a very important influence...

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Detalles Bibliográficos
Autores principales:	Zhong, Kehua, Yang, Yanmin, Xu, Guigui, Zhang, Jian-Min, Huang, Zhigao
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5551804/ https://www.ncbi.nlm.nih.gov/pubmed/28773122 http://dx.doi.org/10.3390/ma10070761

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