Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT
The effect of structural imperfections as well as oxygen impurities on the quantum conductance of poly(3-hexylthiophene) is calculated from first-principles by solving the scattering problem for molecular structures obtained within density functional theory. It is shown that the conductivity of mol...
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| Veröffentlicht in: | The journal of physical chemistry. B 2015-05, Vol.119 (21), p.6481-6491 |
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| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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