Effects of intermolecular interaction and molecule-electrode couplings on molecular electronic conductance
文献类型：期刊论文
| 作者 | Geng, H; Yin, SW; Chen, KQ; Shuai, ZG |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2005-06-30 |
| 卷号 | 109期号:25页码:12304-12308 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/jp050650v |
| 英文摘要 | By applying nonequilibrium Green's function and first-principle calculation, we investigate the transport behavior of a prototype of a molecular device. The intermolecular interaction and molecule-electrode coupling effects are analyzed in detail, through which we can gain insight into the complexities within a molecular device such as intermolecular charge transport contributions and the imperfect molecule-electrode contact. The existing discrepancy between theory and experiment is discussed. |
| 语种 | 英语 |
| WOS记录号 | WOS:000230122900011 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/56507]  |
| 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, Ctr Mol Sci, Lab Organ Solids, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Geng, H,Yin, SW,Chen, KQ,et al. Effects of intermolecular interaction and molecule-electrode couplings on molecular electronic conductance[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2005,109(25):12304-12308. |
| APA | Geng, H,Yin, SW,Chen, KQ,&Shuai, ZG.(2005).Effects of intermolecular interaction and molecule-electrode couplings on molecular electronic conductance.JOURNAL OF PHYSICAL CHEMISTRY B,109(25),12304-12308. |
| MLA | Geng, H,et al."Effects of intermolecular interaction and molecule-electrode couplings on molecular electronic conductance".JOURNAL OF PHYSICAL CHEMISTRY B 109.25(2005):12304-12308. |
入库方式： OAI收割
来源：化学研究所
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