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Detailed analysis of charge transport in amorphous organic thin layer by multiscale simulation without any adjustable parameters
Hopping-type charge transport in an amorphous thin layer composed of organic molecules is simulated by the combined use of molecular dynamics, quantum chemical, and Monte Carlo calculations. By explicitly considering the molecular structure and the disordered intermolecular packing, we reasonably re...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5175281/ https://www.ncbi.nlm.nih.gov/pubmed/28000728 http://dx.doi.org/10.1038/srep39128 |