Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study
文献类型：期刊论文
| 作者 | Tu, Zeyi1,2; Yi, Yuanping1,2; Coropceanu, Veaceslav3,4; Bredas, Jean-Luc3,4 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2018-01-11 |
| 卷号 | 122期号:1页码:44-49 |
| ISSN号 | 1932-7447 |
| DOI | 10.1021/acs.jpcc.7b08554 |
| 英文摘要 | Recent studies point to the impact that the dispersion of both optical and acoustic phonons can have on the nonlocal electron-phonon couplings in organic molecular semiconductors. Here, in order to further elucidate the influence of phonon dispersion, we have calculated the phonon modes in the entire Brillouin zone of the naphthalene crystal. The results demonstrate that the overall nonlocal couplings are underestimated by calculations in which only the phonon modes derived at the Brillouin zone center are considered. Moreover, the contributions of acoustic phonons to the overall strength of nonlocal electron phonon couplings are calculated to be quantitatively very significant for parallel stacked dimers, as high as 40% for holes and 47% for electrons. |
| 语种 | 英语 |
| WOS记录号 | WOS:000422814200005 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/45409]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yi, Yuanping; Coropceanu, Veaceslav |
| 作者单位 | 1.Chinese Acad Sci, CAS Res Educ Ctr Excellence Mol Sci, Inst Chem, CAS Key Lab Organ Solids, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA 4.Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA |
| 推荐引用方式 GB/T 7714 | Tu, Zeyi,Yi, Yuanping,Coropceanu, Veaceslav,et al. Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2018,122(1):44-49. |
| APA | Tu, Zeyi,Yi, Yuanping,Coropceanu, Veaceslav,&Bredas, Jean-Luc.(2018).Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study.JOURNAL OF PHYSICAL CHEMISTRY C,122(1),44-49. |
| MLA | Tu, Zeyi,et al."Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study".JOURNAL OF PHYSICAL CHEMISTRY C 122.1(2018):44-49. |
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。