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- W1963598907 abstract "Carrying out first-principles density-functional and matrix-Green's function calculations, we study the electron tunneling through self-assembled monolayers (SAMs) of conjugated n-alkene chains (n = 8, 12, 16, and 30) bridged to Au(lll) electrodes via monothiolate and dithiolate contacts. In contrast to the semiconducting behavior of bulk polyacetylenes, we do not find any current decay up to 30-alkene chain length. Comparing tiholate and dithiolate cases, we observe only a small difference in their resistance (ratio of 2.8), or minor dependence of charge transport characteristics on the contacts. We thus predict that ideal nanoscale alkene chains can be a good wire component for molecular electronics." @default.
- W1963598907 created "2016-06-24" @default.
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- W1963598907 date "2006-10-01" @default.
- W1963598907 modified "2023-10-18" @default.
- W1963598907 title "First-principles study of charge transport across alkene thiolate self-assembled monolayers" @default.
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- W1963598907 doi "https://doi.org/10.1109/nmdc.2006.4388727" @default.
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