Identifying Multiple Configurations of Complex Molecules in Dynamical Processes: Time Resolved Tunneling Spectroscopy and Density Functional Theory Calculation
文献类型：期刊论文
| 作者 | Liu, Q ; Zhang, YY ; Jiang, N ; Zhang, HG ; Gao, L ; Du, SX ; Gao, HJ |
| 刊名 | PHYSICAL REVIEW LETTERS
 |
| 出版日期 | 2010 |
| 卷号 | 104期号:16 |
| 关键词 | SINGLE-MOLECULE SURFACE MICROSCOPY DIFFUSION TRANSPORT ROTATION BENZENE ATOMS |
| ISSN号 | 0031-9007 |
| 通讯作者 | Liu, Q: Chinese Acad Sci, Inst Phys, POB 603, Beijing 100190, Peoples R China. |
| 中文摘要 | We report for the first time a new methodology to determine molecular configurations of a large molecular complex in a dynamical process on a metal surface by combining time-resolved tunneling spectroscopy (I-t) and density functional theory calculation (DFT). Two examples, (t-Bu)(4)-ZnPc and FePc, representing molecular rotation and lateral diffusion on Au(111) surfaces, respectively, were applied to demonstrate our method. Through analysis of statistical occupation time for each configuration, the molecular configuration numbers and energy differences between different configurations of these molecular systems could be unambiguously determined. These experimental results are further compared with DFT calculation to determine corresponding molecular configurations. Importantly, through the spatial I-t mapping, valuable insights of molecular surface diffusion paths are obtained. |
| 收录类别 | SCI |
| 资助信息 | NSFC; "973'' Projects of China; CAS; Shanghai Supercomputer Center |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/39595]  |
| 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 | Liu, Q,Zhang, YY,Jiang, N,et al. Identifying Multiple Configurations of Complex Molecules in Dynamical Processes: Time Resolved Tunneling Spectroscopy and Density Functional Theory Calculation[J]. PHYSICAL REVIEW LETTERS,2010,104(16). |
| APA | Liu, Q.,Zhang, YY.,Jiang, N.,Zhang, HG.,Gao, L.,...&Gao, HJ.(2010).Identifying Multiple Configurations of Complex Molecules in Dynamical Processes: Time Resolved Tunneling Spectroscopy and Density Functional Theory Calculation.PHYSICAL REVIEW LETTERS,104(16). |
| MLA | Liu, Q,et al."Identifying Multiple Configurations of Complex Molecules in Dynamical Processes: Time Resolved Tunneling Spectroscopy and Density Functional Theory Calculation".PHYSICAL REVIEW LETTERS 104.16(2010). |
入库方式： OAI收割
来源：物理研究所
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