Theoretical design of fullerene derivatives as electron acceptors for bulk heterojunction solar cells
In this paper semiempirical quantum chemical methods were used to optimize the ge- ometry and to calculate the LUMO level of different fullerene derivatives used as electron acceptors in bulk heterojunction solar cells. The calculated LUMO levels were successfully correlated with the open circui...
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| Autores principales: | , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
D.Ghitu Institute of Electronic Engineering and Nanotechnologies
2009
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/89b8a1764b9545fe92fd5b5d985c998f |
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| Sumario: | In this paper semiempirical quantum chemical methods were used to optimize the ge-
ometry and to calculate the LUMO level of different fullerene derivatives used as electron
acceptors in bulk heterojunction solar cells. The calculated LUMO levels were successfully
correlated with the open circuit voltage of devices realized using poly[2-methoxy-5-(3,7-
dimethyloctyloxy)]–1,4-phenylenevinylene as electron donor, showing the possibility to use a
theoretical approach to design new acceptor molecules. |
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