n-Type Charge Transport and Mobility of Fluorinated Perylene Bisimide Semiconductors
文献类型：期刊论文
| 作者 | Di Donato, Eugenio1,2; Fornari, Rocco P.1,2; Di Motta, Simone1,2; Li, Yan3; Wang, Zhaohui3; Negri, Fabrizia1,2 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2010-04-29 |
| 卷号 | 114期号:16页码:5327-5334 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/jp101040r |
| 英文摘要 | The intramolecular and intermolecular charge transport parameters are evaluated quantum chemically for three fluorinated derivatives of perylene bisimide (PBI) semiconductors, two of which feature a twisted PBI core. Charge transfer rates are computed within the Marcus-Levich-Jortner formalism including a single effective mode treated quantum mechanically and are injected in a kinetic Monte Carlo scheme to propagate the charge carrier in the crystal and to estimate charge mobilities at room temperature. The relative order of computed mobilities agrees with the observed trend, and the largest mobility is computed for the planar PBI derivative. It is suggested that thermally induced disorder effects should contribute considerably to the observed large mobility of the planar PBI derivative, while a retardation effect induced by the presence of alternating slow and fast jumps along pi-stacked PBI columns is responsible for the lower mobilities of the two twisted derivatives. The computed parameters reveal the subtle interplay between intramolecular and intermolecular contributions to the charge carrier propagation in these organic semiconductors and may guide the design of more efficient architectures. |
| 语种 | 英语 |
| WOS记录号 | WOS:000276889100015 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/68887]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Negri, Fabrizia |
| 作者单位 | 1.Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy 2.INSTM, UdR Bologna, Bologna, Italy 3.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Key Lab Organ Solids, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Di Donato, Eugenio,Fornari, Rocco P.,Di Motta, Simone,et al. n-Type Charge Transport and Mobility of Fluorinated Perylene Bisimide Semiconductors[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2010,114(16):5327-5334. |
| APA | Di Donato, Eugenio,Fornari, Rocco P.,Di Motta, Simone,Li, Yan,Wang, Zhaohui,&Negri, Fabrizia.(2010).n-Type Charge Transport and Mobility of Fluorinated Perylene Bisimide Semiconductors.JOURNAL OF PHYSICAL CHEMISTRY B,114(16),5327-5334. |
| MLA | Di Donato, Eugenio,et al."n-Type Charge Transport and Mobility of Fluorinated Perylene Bisimide Semiconductors".JOURNAL OF PHYSICAL CHEMISTRY B 114.16(2010):5327-5334. |
入库方式： OAI收割
来源：化学研究所
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