Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends
文献类型：期刊论文
| 作者 | Meng, S ; Kaxiras, E |
| 刊名 | NANO LETTERS
 |
| 出版日期 | 2010 |
| 卷号 | 10期号:4页码:1238 |
| 关键词 | DENSITY-FUNCTIONAL THEORY FEMTOSECOND INFRARED-SPECTROSCOPY TITANIUM-DIOXIDE FILMS TRANSIENT ABSORPTION ORGANIC SENSITIZERS CHARGE SEPARATION TIO2 NANOWIRE AB-INITIO INJECTION SEMICONDUCTOR |
| ISSN号 | 1530-6984 |
| 通讯作者 | Meng, S: Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We investigate electron and hole dynamics upon photon excitation in dye-sensitized solar cells, using a recently developed method based on real-time evolution of electronic states through time-dependent density functional theory. The systems we considered consist of organic sensitizers and nanocrystalline TiO(2) semiconductors. We examine the influence of various factors on the dynamics of electrons and holes, including point defects (vacancies) on the TiO(2) surface, variations in the dye molecular size and binding geometry. and thermal fluctuations which result in different alignments of the electronic energy levels. Two clear trends emerge: (a) dissociated adsorption of the dye molecules leads to faster electron injection dynamics by reducing interfacial dipole moments; (D) oxygen vacancy defects stabilize dye adsorption and facilitate charge injection, at the cost of lower open circuit voltage and higher electron hole recombination rate. Understanding of these effects at the atomic level suggests tunable parameters through which the electronic characteristics of dye-sensitized solar cell devices can be improved and their efficiency can be maximized. |
| 收录类别 | SCI |
| 资助信息 | CAS |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/37050]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Meng, S,Kaxiras, E. Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends[J]. NANO LETTERS,2010,10(4):1238. |
| APA | Meng, S,&Kaxiras, E.(2010).Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends.NANO LETTERS,10(4),1238. |
| MLA | Meng, S,et al."Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends".NANO LETTERS 10.4(2010):1238. |
入库方式： OAI收割
来源：物理研究所
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