Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells
文献类型：期刊论文
| 作者 | Yan, Yaming; Song, Linze; Shi, Qiang1 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2018-02-28 |
| 卷号 | 148期号:8 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.5017866 |
| 英文摘要 | By employing several lattice model systems, we investigate the free energy barrier and real-time dynamics of charge separation in organic photovoltaic (OPV) cells. It is found that the combined effects of the external electric field, entropy, and charge delocalization reduce the free energy barrier significantly. The dynamic disorder reduces charge carrier delocalization and results in the increased charge separation barrier, while the effect of static disorder is more complicated. Simulation of the real-time dynamics indicates that the free charge generation process involves multiple time scales, including an ultrafast component within hundreds of femtoseconds, an intermediate component related to the relaxation of the hot charge transfer (CT) state, and a slow component on the time scale of tens of picoseconds from the thermally equilibrated CT state. Effects of hot exciton dissociation as well as its dependence on the energy offset between the Frenkel exciton and the CT state are also analyzed. The current results indicate that only a small energy offset between the band gap and the lowest energy CT state is needed to achieve efficient free charge generation in OPV devices, which agrees with recent experimental findings. Published by AIP Publishing. |
| 语种 | 英语 |
| WOS记录号 | WOS:000426582700010 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/45743]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shi, Qiang |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Struct Chem Unstable & Stable Speci, CAS Res Educ Ctr Excellence Mol Sci, Beijing Natl Lab Mol Sci,Inst Chem, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yan, Yaming,Song, Linze,Shi, Qiang. Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells[J]. JOURNAL OF CHEMICAL PHYSICS,2018,148(8). |
| APA | Yan, Yaming,Song, Linze,&Shi, Qiang.(2018).Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells.JOURNAL OF CHEMICAL PHYSICS,148(8). |
| MLA | Yan, Yaming,et al."Understanding the free energy barrier and multiple timescale dynamics of charge separation in organic photovoltaic cells".JOURNAL OF CHEMICAL PHYSICS 148.8(2018). |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。