Balanced carrier transports of electrons and holes in silole-based compounds - A theoretical study
文献类型：期刊论文
| 作者 | Yin, SW; Yi, YP; Li, QX; Yu, G; Liu, YQ; Shuai, ZG |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2006-06-08 |
| 卷号 | 110期号:22页码:7138-7143 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp057921o |
| 英文摘要 | By employing a diabatic model and a first-principle direct method, we have investigated the carrier transport properties of the highly efficient organic light-emitting materials 1,1,2,3,4,5-hexaphenylsilole (HPS) and 1-methyl-1,2,3,4,5-pentaphenylsilole (MPPS). The electronic coupling constants and reorganization energies are calculated for a wide variety of nearest-neighbor charge transfer pathways. The theoretical calculations show that (i) the electron mobility is very close to that of the hole, which indicates a balanced carrier transport in these materials, and (ii) the carrier mobilities for MPPS are larger than those for HPS. These results help explain the underlying microscopic mechanism for the high electroluminescence efficiency. |
| 语种 | 英语 |
| WOS记录号 | WOS:000237951500017 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/59827]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shuai, ZG |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Key Lab Organ Solids, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yin, SW,Yi, YP,Li, QX,et al. Balanced carrier transports of electrons and holes in silole-based compounds - A theoretical study[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2006,110(22):7138-7143. |
| APA | Yin, SW,Yi, YP,Li, QX,Yu, G,Liu, YQ,&Shuai, ZG.(2006).Balanced carrier transports of electrons and holes in silole-based compounds - A theoretical study.JOURNAL OF PHYSICAL CHEMISTRY A,110(22),7138-7143. |
| MLA | Yin, SW,et al."Balanced carrier transports of electrons and holes in silole-based compounds - A theoretical study".JOURNAL OF PHYSICAL CHEMISTRY A 110.22(2006):7138-7143. |
入库方式： OAI收割
来源：化学研究所
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