染料敏化TiO<sub>2</sub>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

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, doi: 10.3866/PKU.WHXB201207192 shu

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

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

基金项目:
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)

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.

关键词:

English

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: 17 October 2012
Fund Project:
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

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.

Key words:

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1.
沈阳化工大学材料科学与工程学院沈阳 110142

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

English

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

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

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

English

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

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

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

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

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs