| 染料敏化TiO2纳晶体系激发态振动相干效应对光致电子转移速率的影响 |
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| 引用本文： | 蒋礼林,卢喜银,宋云飞,刘伟龙,杨延强. 染料敏化TiO2纳晶体系激发态振动相干效应对光致电子转移速率的影响[J]. 物理化学学报, 2012, 28(11): 2589-2596. DOI: 10.3866/PKU.WHXB201207192 |
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| 作者姓名： | 蒋礼林 卢喜银 宋云飞 刘伟龙 杨延强 |
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| 作者单位： | 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 |
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| 基金项目： | 国家自然科学基金(20973050,21173063,21003033);广西自然科学青年基金(2012GXNSFBA053012);广西教育厅科研基金(200103YB140,200807LX015);中国工程物理研究院科学与技术发展基金(2010B0101001);冲击波与爆轰物理重点实验室基金(9140C67130208ZS75)资助项目~~ |
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| 摘 要： | 基于激发态电子占有率表达式和Frank-Condon 因子唯象公式, 当染料激发态振动能级单模振动频率为0.2 eV和TiO2纳晶半导体导带宽为1.4 eV时, 从理论上研究了取不同重组能、注入能级位置和初始振动波包时激发态振动能级间振动相干效应对光致电子转移速率的影响. 与文献的理论结果比较, 证实了唯象公式的合理性, 其相关修正参数分别为A=16, B=0.4735, C=0.1. 本文的工作将为进行光致电子转移速率的实验研究和染料敏化太阳能电池的应用研究提供理论基础和指导.
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| 关 键 词： | Frank-Condon因子 重组能 初始振动波包 光致电子转移 染料敏化太阳能电池 |
| 收稿时间： | 2012-04-24 |
| 修稿时间： | 2012-07-19 |
Effects of Excited State Vibrational Coherence on Photo-Induced Electron Transfer Rates in Dye-Sensitized Nanocrystalline TiO2 |
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| 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, 2012, 28(11): 2589-2596. DOI: 10.3866/PKU.WHXB201207192 |
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| Authors: | JIANG Li-Lin LU Xi-Yin SONG Yun-Fei LIU Wei-Long YANG Yan-Qiang |
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| Affiliation: | 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 |
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| Abstract: | 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. |
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| Keywords: | Frank-Condon factor Reorganization energy Initial vibrational wave packet Photo-induced electron transfer Dye-sensitized solar cell |
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