Chen, Xiaoping and Annadata, Harshini V. and Kretz, Bernhard and Zharnikov, Michael and Chi, Xiao and Yu, Xiaojiang and Egger, David A. and Nijhuis, Christian A. (2019) Interplay of Collective Electrostatic Effects and Level Alignment Dictates the Tunneling Rates across Halogenated Aromatic Monolayer Junctions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 10 (14). pp. 4142-4147. ISSN 1948-7185,
Full text not available from this repository. (Request a copy)Abstract
Predictions about the electrical conductance across molecular junctions based on self-assembled monolayers (SAMs) are often made from the SAM precursor properties. Collective electrostatic effects, however, in a densely packed SAM can override these predictions. We studied, experimentally and theoretically, molecular tunneling junctions based on thiolate SAMs with an aromatic biphenyl backbone and variable, highly polarizable halogen termini X (S-(C6H5)(2)X; X = H, F, Cl, Br, or I). We found that the halogen-terminated systems show tunneling rates and dielectric behavior that are independent of X despite the large change in the electronegativity of the terminal atom. Using density functional theory, we show that collective electrostatic effects result in modulations of the electrostatic potential that are strongly confined spatially along the direction of charge transport, thereby rendering the role of the halogen atoms insignificant for SAMs with conjugated backbones.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | SELF-ASSEMBLED MONOLAYERS; INTERFACIAL ELECTRONIC-STRUCTURE; SIGNIFICANTLY CHANGE RATES; DIELECTRIC-CONSTANT; MOLECULAR ELECTRONICS; CHARGE-TRANSPORT; SINGLE-MOLECULE; WORK-FUNCTIONS; LARGE-AREA; POLARIZABILITY; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group David Egger |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 07 Apr 2020 08:16 |
| Last Modified: | 07 Apr 2020 08:16 |
| URI: | https://pred.uni-regensburg.de/id/eprint/26620 |
Actions (login required)
 |
View Item |
