期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 17, 期 4, 页码 2311-2325出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cp03663h
关键词
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资金
- UK Engineering and Physical Sciences Research Council through the Plastic Electronics Doctoral Training Centre [EP/G037515]
- Supergen Supersolar Hub [EP/J017361]
- EPSRC [EP/K016288]
- Royal Society
- [EP/J500021]
- [EP/K030671]
- EPSRC [EP/J021199/1, EP/K030671/1, EP/K016288/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/J021199/1, EP/K016288/1, EP/K030671/1, 1030430] Funding Source: researchfish
Efficient charge pair generation is observed in many organic photovoltaic (OPV) heterojunctions, despite nominal electron-hole binding energies which greatly exceed the average thermal energy. Empirically, the efficiency of this process appears to be related to the choice of donor and acceptor materials, the resulting sequence of excited state energy levels and the structure of the interface. In order to establish a suitable physical model for the process, a range of different theoretical studies have addressed the nature and energies of the interfacial states, the energetic profile close to the heterojunction and the dynamics of excited state transitions. In this paper, we review recent developments underpinning the theory of charge pair generation and phenomena, focussing on electronic structure calculations, electrostatic models and approaches to excited state dynamics. We discuss the remaining challenges in achieving a predictive approach to charge generation efficiency.
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