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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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| Publicado no: | Materials (Basel) |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5551804/ https://ncbi.nlm.nih.gov/pubmed/28773122 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma10070761 |
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