Publication: Research - peer-review › Journal article – Annual report year: 2002
We report first-principles studies of electronic transport and rectification in molecular wires attached to gold electrodes. Our ab initio calculation gives an accurate description of the voltage drop as well as the broadening and alignment of the molecular levels in the metal-molecule-metal complex. We find that the operation range and rectification in such strongly chemisorbed molecules is limited by the width of the transmission resonances and their proximity to the Fermi level.
|Journal||Physical Review Letters|
|State||Published - 2002|
Copyright (2002) American Physical Society
|Citations||Web of Science® Times Cited: 246|
- MOLECULAR ELECTRONICS, DEVICES, TRANSPORT-PROPERTIES, ELECTRICAL RECTIFICATION, JUNCTION, SCANNING-TUNNELING-MICROSCOPY, SELF-ASSEMBLED MONOLAYERS, RECTIFIERS
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