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

By Jeremy Taylor, Mads Brandbyge, K. Stokbro. 2002

169 citations recorded by the source corpus.

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.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering, Electrochemistry

View Paper: https://www.semanticscholar.org/paper/fb878f607e9c401696ad94042ca0191d5fa44a97

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In Atomic and Molecular Physics, and Optics

In Electrical and Electronic Engineering

In Electrochemistry

Citations in the corpus

Molecular transport junctions: vibrational effects (2006, background): “e phenomena is complicated by the need to account for the junction transport and the bridge configuration in a self consistent way. Several models and theoretical methods have been recently discussed,[286, 287, 252, 257, 270, 91, 92, 55, 56, 42, 43, 58, 190, 288] however a conclusive theoretical pic”