Electron Transfer in Li+-doped Zn-porphyrin-[10]CPP⊃Fullerene Junction: Charge-separated Bands with Opposite Response to Polar Environment
Recently synthesized porphyrin-cycloparaphenylene (ZnP-[10]CPP) junction is a powerful platform to develop useful organic photovoltaic devices. In this work, we computationally study photoinduced electron transfer processes in the supramolecular complex ZnP-[10]CPP⊃C60 and its Li+-doped derivative....
| Autores: | , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2020 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/18666 |
| Acceso en línea: | http://hdl.handle.net/10256/18666 |
| Access Level: | acceso abierto |
| Palabra clave: | Fotoquímica Transferència de càrrega Photochemistry Charge transfer Nanotubs Nanotubes |
| Sumario: | Recently synthesized porphyrin-cycloparaphenylene (ZnP-[10]CPP) junction is a powerful platform to develop useful organic photovoltaic devices. In this work, we computationally study photoinduced electron transfer processes in the supramolecular complex ZnP-[10]CPP⊃C60 and its Li+-doped derivative. The most striking finding is charge separation (CS) bands in ZnP-[10]CPP⊃Li+@C60 with opposite responses to solvent polarity. Besides CS that demonstrate a bathochromic shift, there exist CS transitions showing a rarely observed hypsochromic shift. The rates of energy transfer, electron transfer, and charge recombination in the supramolecular complexes are computed by using the semi-classical approach. These estimates suggest that the both types of CS states can be efficiently populated in polar media by decay of locally excited states |
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