Rapid Prediction of Energy Level Alignment and Conductance of Single‐Molecule Junctions Through Intramolecular Dipole Moment
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202403836
Abstract: How substituents affect the conductance of single‐molecule junctions has been a subject of ongoing debate. Here, a comparative study on the transport properties across a broader range of experimentally proposed and representative π‐conjugated molecular systems,… read more here.
Keywords: molecule junctions; conductance; dipole moment; conductance single ... See more keywords
Conductance of a single molecule C60-SnPc heterojunction
Sign Up to like & getrecommendations! Published in 2021 at "Chinese Chemical Letters"
DOI: 10.1016/j.cclet.2021.05.060
Abstract: ABSTRACT Geometries of molecule-molecule interfaces strongly influence the current passing from one molecule to another. The contact conductance of molecule-molecule junctions which consist of fullerene and tin phthalocyanine molecules is investigated with a low-temperature scanning… read more here.
Keywords: single molecule; conductance single; c60 snpc; molecule molecule ... See more keywords
Gating the conductance of a single-molecule junction with ion-π interaction.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc02755k
Abstract: The single molecular conductance of viologen derivative VSMe and supramolecular compound VSMe-PA[5] (pillararene[5]) was investigated. The difference of their conductance demonstrated the gating effect of cation-π interaction. Theoretical calculations showed that the higher conductance of… read more here.
Keywords: interaction; single molecule; conductance; gating conductance ... See more keywords