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- W2321394893 abstract "The use of fullerene derivatives as electron donors in bulk heterojunctions is a promising development in the search for efficient energy conversion in hybrid solar cells. A long-lived photoexcited electron–hole pair will give rise to increased efficiency in photoenergy conversion. One way to prevent fast electron–hole recombination is to engineer fullerene derivatives that exhibit intrinsic electron–hole separation through accessible charge-transfer excited states. In this letter, the dynamics of photoexcited electron–hole pairs in a C60 derivative is studied using the real-time time-dependent density functional theory. Although the charge-transfer excited state is not directly accessible from the ground state, intrinsic coherent electron–hole separation is observed following photoexcition as a result of direct coupling between excited states. Ultrafast charge-transfer dynamics is the dominant phenomenon in <60 fs after visible photoexcitation. This work provides insights into the characteristics of ultrafast dynamics in photoexcited fullerene derivatives, and aids in the rational design of efficient solar cells." @default.
- W2321394893 created "2016-06-24" @default.
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- W2321394893 date "2011-04-29" @default.
- W2321394893 modified "2023-10-01" @default.
- W2321394893 title "Ultrafast Coherent Electron–Hole Separation Dynamics in a Fullerene Derivative" @default.
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- W2321394893 doi "https://doi.org/10.1021/jz200339y" @default.
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