Citation: JIANG Li-Lin, LU Xi-Yin, SONG Yun-Fei, LIU Wei-Long, YANG Yan-Qiang. Effects of Excited State Vibrational Coherence on Photo-Induced Electron Transfer Rates in Dye-Sensitized Nanocrystalline TiO₂[J]. Acta Physico-Chimica Sinica doi: 10.3866/PKU.WHXB201207192 shu

Effects of Excited State Vibrational Coherence on Photo-Induced Electron Transfer Rates in Dye-Sensitized Nanocrystalline TiO₂

1.
1 Centre for the Condensed Matter Science and Technology, Department of Physics, Harbin Institute of Technology, Harbin 150001, P. R. China;
2 Department of Physics and Electronics Information Engineering, Hezhou University, Hezhou 542800, Guangxi Province, P. R. China

Received Date: 24 April 2012
Available Online: 19 July 2012
Fund Project: 国家自然科学基金(20973050, 21173063, 21003033) (20973050, 21173063, 21003033) 广西自然科学青年基金(2012GXNSFBA053012) (2012GXNSFBA053012) 广西教育厅科研基金(200103YB140, 200807LX015) (200103YB140, 200807LX015) 中国工程物理研究院科学与技术发展基金(2010B0101001) (2010B0101001)冲击波与爆轰物理重点实验室基金(9140C67130208ZS75)资助项目 (9140C67130208ZS75)

Based on the expression for the electron occupation probability of the excited state, and the empirical formula of the Franck-Condon factor, theoretical investigations of the effects of excited state vibrational coherence on photo-induced electron transfer rates of a nanocrystalline TiO₂ semiconductor were carried out. The calculations were performed at different values of reorganization energy, various energetic positions for the injecting level and several initial vibrational wave packets, using a single vibrational spacing mode of 0.2 eV and a conductor bandwidth of 1.4 eV. Comparing the results to the published literature confirmed that the empirical formula should be rationalized with modified parameters of A=16, B=0.4735, and C=0.1. This work will provide a theoretical basis and guidance for future experimental work concerning photo-induced electron transfer rates as well as research into applications of dyesensitized solar cells.
- Frank-Condon factor,
- Reorganization energy,
- Initial vibrational wave packet,
- Photo-induced electron transfer,
- Dye-sensitized solar cell
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Effects of Excited State Vibrational Coherence on Photo-Induced Electron Transfer Rates in Dye-Sensitized Nanocrystalline TiO2

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通讯作者: 陈斌, bchen63@163.com

Effects of Excited State Vibrational Coherence on Photo-Induced Electron Transfer Rates in Dye-Sensitized Nanocrystalline TiO₂