TY  - JOUR
A1  - Nalbach, Peter
T1  - Single-molecule junctions sensitive to binary solvent mixtures
T2  - Physical Review B
N2  - 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.
Y1  - 2022
UR  - https://whge.opus.hbz-nrw.de/frontdoor/index/index/docId/4288
VL  - 2022
IS  - 106
SP  - Article Number: 075413
ER  -