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

Internet

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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