Prediction of increased tunneling current by bond length stretch in molecular break junctions

Elsevier Science Bv
Publication Type:
Journal Article
Chemical Physics Letters, 2006, 429 (4-6), pp. 503 - 506
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We use ab initio calculations of the tunneling current through a 1,4-phenylenedimethanethiol (XYL) molecule adsorbed between Au(111) electrodes to show that there are circumstances under which tunneling currents can be increased by bond stretching. The e
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