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Updated: Aug 23, 2026

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
Published on: October 18, 2018
Theoretical analysis of electron transport through organic molecules
1Department of Physics and Astronomy, Arizona State University, Tempe, Arizona 85287, USA.
Abstract:
We present a theoretical study of electron transport through a variety of organic molecules. The analysis uses the Landauer formalism in combination with complex bandstructure and projected densities of states calculations to reveal the main aspects of coherent electronic transport through alkanes, benzene-dithiol, and phenylene-ethynylene oligomers. We examine the dependence of the current on molecule length, the effects of molecule-molecule interactions from film packing, differences in contact geometry, and the influence of phenyl ring rotation on the conductances of phenylene-ethynylene oligomers such as 1,4-bis-phenylethynyl-benzene.
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