Fu, Tianren and Smith, Shanelle and Camarasa-Gomez, Maria and Yu, Xiaofang and Xue, Jiayi and Nuckolls, Colin and Evers, Ferdinand and Venkataraman, Latha and Wei, Sujun (2019) Enhanced coupling through pi-stacking in imidazole-based molecular junctions. CHEMICAL SCIENCE, 10 (43). pp. 9998-10002. ISSN 2041-6520, 2041-6539
Full text not available from this repository. (Request a copy)Abstract
We demonstrate that imidazole based pi-pi stacked dimers form strong and efficient conductance pathways in single-molecule junctions using the scanning-tunneling microscope-break junction (STM-BJ) technique and density functional theory-based calculations. We first characterize an imidazole-gold contact by measuring the conductance of imidazolyl-terminated alkanes (im-N-im, N = 3-6). We show that the conductance of these alkanes decays exponentially with increasing length, indicating that the mechanism for electron transport is through tunneling or super-exchange. We also reveal that pi-pi stacked dimers can be formed between imidazoles and have better coupling than through-bond tunneling. These experimental results are rationalized by calculations of molecular junction transmission using non-equilibrium Green's function formalism. This study verifies the capability of imidazole as a Au-binding ligand to form stable single- and pi-stacked molecule junctions at room temperature.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | BREAK-JUNCTION; CONDUCTANCE; TRANSPORT; COPPER; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 25 Mar 2020 07:25 |
| Last Modified: | 25 Mar 2020 07:25 |
| URI: | https://pred.uni-regensburg.de/id/eprint/25815 |
Actions (login required)
 |
View Item |
