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Thermal Transport in Fullerene Derivatives Using Molecular Dynamics Simulations
In order to study the effects of alkyl chain on the thermal properties of fullerene derivatives, we perform molecular dynamics (MD) simulations to predict the thermal conductivity of fullerene (C(60)) and its derivative phenyl-C61-butyric acid methyl ester (PCBM). The results of non-equilibrium MD s...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4523858/ https://www.ncbi.nlm.nih.gov/pubmed/26238607 http://dx.doi.org/10.1038/srep12763 |