1. γ-graphyne: A promising electron acceptor for organic photovoltaics.
- Author
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Stasyuk, O.A., Stasyuk, A.J., Solà, M., and Voityuk, A.A.
- Subjects
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PHOTOINDUCED electron transfer , *ELECTROPHILES , *ELECTRON donors , *VAN der Waals clusters , *PHOTOVOLTAIC power generation , *CHARGE exchange , *ELECTRON mobility - Abstract
[Display omitted] • electronic properties of γ-graphyne cluster models converge rapidly. • electronic properties of γ-graphyne clusters have a low dependence on vacancy defects. • γ-graphyne is an efficient electron acceptor (low LUMO and ability to delocalize excess charge). • photoinduced electron transfer from electron donors to γ-graphyne is efficient and fast. The search for new materials is constantly ongoing. Recently, a two-dimensional carbon allotrope , γ-graphyne , has been synthesized with a unified crystalline structure. Because of its low LUMO and excellent electron mobility, it appears to be a promising electron acceptor for photovoltaic applications. Here we report an analysis of the electronic properties of model van der Waals complexes of γ-graphyne with several partners of different electronic nature. We show that photoinduced electron transfer from electron-donating partners to γ-graphyne is favorable and occurs on nano to picosecond time scale. In contrast, electron transfer from γ-graphyne to strong electron acceptors is unlikely. Our results open perspectives for the future application of γ-graphyne in photovoltaic devices. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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