Single-molecule junctions sensitive to binary solvent mixtures
- We propose a quantum-mechanical model to calculate the nonlinear differential conductance of a single molecular junction immersed in a solvent, either in pure form or as a binary mixture with varying volume fraction. The solvent mixture is captured by a dielectric continuum model for which the resulting spectral density is determined within the Gladstone-Dale approach. The conductance of the molecular junction is calculated by a real-time diagrammatic technique. We find a strong variation of the conductance maximum for varying volume fraction of the solvent mixture. Importantly, the calculated molecular nonlinear conductance shows a very good agreement with experimentally measured data for common molecular junctions in various polar solvent mixtures.
Author: | Peter Nalbach |
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DOI: | https://doi.org/https://doi.org/10.1103/PhysRevB.106.075413 |
Parent Title (English): | Physical Review B |
Document Type: | Article |
Language: | English |
Date of Publication (online): | 2023/12/19 |
Date of first Publication: | 2022/08/17 |
Publishing Institution: | Westfälische Hochschule Gelsenkirchen Bocholt Recklinghausen |
Release Date: | 2024/01/10 |
Volume: | 2022 |
Issue: | 106 |
First Page: | Article Number: 075413 |
Departments / faculties: | Fachbereiche / Wirtschaft und Informationstechnik Bocholt |
Licence (German): | Es gilt das Urheberrechtsgesetz |