Work

Conductance switching in a molecular device: The role of side groups and intermolecular interactions

Year: 2003

Type: article

Abstract: We report first-principles studies of electronic transport in monolayers of Tour wires functionalized with different side groups. An analysis of the scattering states and transmission eigenchannels suggests that the functionalization does not strongly affect the resonances responsible for current flow through the monolayer. However, functionalization has a significant effect on the interactions within the monolayer, so that monolayers with ${\mathrm{NO}}_{2}$ side groups exhibit local minima associated with twisted conformations of the molecules. We use our results to interpret observations of negative differential resistance and molecular memory in monolayers of ${\mathrm{NO}}_{2}$ functionalized molecules in terms of a twisting of the central ring induced by an applied bias potential.

Source: Physical review. B, Condensed matter

DOI: 10.1103/physrevb.68.121101

Authors: Jeremy Taylor, Mads Brandbyge, Kurt Stokbro

Institution: Technical University of Denmark

Language: English

Topic: Molecular Junctions and Nanostructures

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: green

Funders: Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Direktør Ib Henriksens Fond, Natural Sciences and Engineering Research Council of Canada

Award: Verständnis eigener Lernprozesse bei Lehrlingen und Berufsarbeitern