Quantum localization and delocalization of charge carriers in organic semiconducting crystals
Existing transport models for organic semiconductors are limited in their ability to accurately describe the transport mechanisms in these materials. Here, the authors report the fragment-orbital based surface hopping method for predicting charge transport in crystalline organic semiconductors.
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2019-08-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-019-11775-9 |
| Summary: | Existing transport models for organic semiconductors are limited in their ability to accurately describe the transport mechanisms in these materials. Here, the authors report the fragment-orbital based surface hopping method for predicting charge transport in crystalline organic semiconductors. |
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| ISSN: | 2041-1723 |