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- W2335489871 abstract "The primary kinetic processes leading to photocurrent generation in rubrene/7,7,8,8-tetracyanoquinodimethane (rubene/TCNQ) heterojunctions are investigated using a combination of quantum-chemical methods, Marcus nonadiabatic electron-transfer theory, and Onsager–Braun model for charge separation. Charge-transfer (CT), -recombination (CR), and -separation (CS) rates are obtained for heterodimers representative of two device models: single-crystal planar bilayer, in which crystal orientation is preserved and rubrene’s fused π-system is sterically hindered, and bulk-heterojunctions (BHJs), where donor and acceptor molecules approach cofacially with the π-system fully exposed. Results point to low geminate pair recombination due to higher donor–acceptor separation in crystalline bilayers, while maintaining ultrafast CT (∼109 s–1). Moreover, HOMO–LUMO coupling is an order of magnitude higher in cofacial orientation, leveraging CR in BHJs for which kCR ∼ 106 s–1 and kCT ∼ 109 s–1. This work provides a molecular perspective rationale for the high photoresponse reported for rubrene/TCNQ single-crystal bilayer interfaces." @default.
- W2335489871 created "2016-06-24" @default.
- W2335489871 creator A5033312430 @default.
- W2335489871 date "2014-01-23" @default.
- W2335489871 modified "2023-09-23" @default.
- W2335489871 title "Photocurrent Generation in Bulk vs Bilayer Devices: Quantum Treatment of Model Rubrene/7,7,8,8-Tetracyanoquinodimethane Heterojunctions for Organic Solar Cells" @default.
- W2335489871 cites W1969126017 @default.
- W2335489871 cites W1975774770 @default.
- W2335489871 cites W1979722600 @default.
- W2335489871 cites W1981971775 @default.
- W2335489871 cites W1987163433 @default.
- W2335489871 cites W1995938801 @default.
- W2335489871 cites W1996348733 @default.
- W2335489871 cites W1999162073 @default.
- W2335489871 cites W2002137183 @default.
- W2335489871 cites W2005747565 @default.
- W2335489871 cites W2009122674 @default.
- W2335489871 cites W2013974285 @default.
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- W2335489871 cites W2019040430 @default.
- W2335489871 cites W2021420849 @default.
- W2335489871 cites W2023616923 @default.
- W2335489871 cites W2023769866 @default.
- W2335489871 cites W2028463335 @default.
- W2335489871 cites W2030665791 @default.
- W2335489871 cites W2032682648 @default.
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- W2335489871 doi "https://doi.org/10.1021/jp409583q" @default.
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