External Electric Field-Dependent Photoinduced Charge Transfer in a Donor-Acceptor System for an Organic Solar Cell
文献类型：期刊论文
| 作者 | Song, P ; Li, YZ ; Ma, FC ; Pullerits, T ; Sun, MT |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2013 |
| 卷号 | 117期号:31页码:15879 |
| ISSN号 | 1932-7447 |
| 通讯作者 | Sun, MT (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, POB 603-146, Beijing 100190, Peoples R China. |
| 中文摘要 | External electric field is incorporated into the generalized Mulliken-Hush model and Marcus theory. With this new development, we have investigated the field-dependent electronic structure and rate of photoinduced charge transfer in organic donor-acceptor dyad using time-dependent density functional theory and extensive multidimensional visualization techniques. The model is used to evaluate the influence of the external electric field on the electronic coupling between donor and acceptor. The reorganization energy and the free energy change of the electron transfer were calculated. It was found that the major effects in the external electric field dependent rate of the charge transfer originate from changes in the electronic coupling. The new theoretical approach not only promotes a deeper understanding of the connection between the external electric field, chemical structure, and optical and electronic properties of the donor-acceptor system, but also can be used for rational design of novel donor-acceptor system for organic solar cells. |
| 资助信息 | National Science Foundation of China [11274149]; Program of Shenyang Key Laboratory of Optoelectronic Materials and Technology [F12-254-1-00]; Natural Science Foundation of Liaoning Province [20111035]; Fundamental Research Funds for the Central Universities [DL12BB19]; Research Project of Education Department of Heilongjiang Province [12533008]; STEM; KAW Foundation |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/56994]  |
| 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 | Song, P,Li, YZ,Ma, FC,et al. External Electric Field-Dependent Photoinduced Charge Transfer in a Donor-Acceptor System for an Organic Solar Cell[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2013,117(31):15879. |
| APA | Song, P,Li, YZ,Ma, FC,Pullerits, T,&Sun, MT.(2013).External Electric Field-Dependent Photoinduced Charge Transfer in a Donor-Acceptor System for an Organic Solar Cell.JOURNAL OF PHYSICAL CHEMISTRY C,117(31),15879. |
| MLA | Song, P,et al."External Electric Field-Dependent Photoinduced Charge Transfer in a Donor-Acceptor System for an Organic Solar Cell".JOURNAL OF PHYSICAL CHEMISTRY C 117.31(2013):15879. |
入库方式： OAI收割
来源：物理研究所
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