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- W2024654670 abstract "A density functional theory approach is employed to investigate poly-3-hexylthiophene (P3HT) interfaced with both a semiconducting and metallic carbon nanotube (CNT). For the semiconducting CNT, a type-II heterojunction can form, making such an interface desirable as a photovoltaic heterojunction. In contrast, with the metallic CNT, substantial charge redistribution occurs and the interaction is strongly enhanced. The built-in-potential is, however, quite small, and P3HT becomes electrostatically more attractive for electrons. These observations together indicate that, in a photovoltaic heterojunction based on a mixed CNT distribution, the majority of interfaces are with metallic CNTs and inefficient." @default.
- W2024654670 created "2016-06-24" @default.
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- W2024654670 date "2008-02-22" @default.
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- W2024654670 title "Role of Semiconducting and Metallic Tubes in P3HT/Carbon-Nanotube Photovoltaic Heterojunctions: Density Functional Theory Calculations" @default.
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- W2024654670 doi "https://doi.org/10.1021/nl0732777" @default.
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