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Electron transport through single molecular wires

Grace I. M., Bailey S. W., Jefferson J., Lambert C. J.

Materials Science Poland

2004

Vol. 22, No. 4

507--512

Using a scattering technique combined with density-functional theory, a computational study of electron transport through two recently synthesized molecules is presented. The effect of connecting the molecules to gold electrodes is studied by iteratively increasing the number of gold layers, treated self-consistently as part of the molecule.