1,3-diphenyltriazene as a possible optical molecular switch: A first-principles study |
| |
Authors: | P Zhao Z Zhang DS Liu |
| |
Institution: | a School of Science, University of Jinan, Jinan 250022, China b School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China c Department of Physics, Jining University, Qufu 273155, China |
| |
Abstract: | By applying nonequilibrium Green's function formalism combined with first-principles density functional theory, we investigate the electronic transport properties of a 1,3-diphenyltriazene-based optical molecular switch. The molecule that comprises the switch can convert between the cis and the trans forms upon photoexcitation. The transmission spectra of two forms are remarkably distinctive. Theoretical results show that the current through the trans form is significantly larger than that through the cis form, which suggests that this system has attractive potential application in future molecular switch technology. |
| |
Keywords: | 31 15 A&minus 71 15 Mb 73 23 &minus b 85 65 +h |
本文献已被 ScienceDirect 等数据库收录! |
|