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- W2008784751 abstract "We report theoretical simulations of the effects of different binding sites and metal contact geometries on the conductance through single alkanedithiol molecules on gold. Examined are the current–voltage (I –V ) characteristics and the projected density of states when a one-atom-thick filament is formed at the molecule-metal interface. Filaments similar to these are believed to be formed in gold STM break-junction experiments. I –V characteristics with these contacts are compared to those of planar gold contacts at hollow or on-top sites. The results reveal that a gold filament contact produces a large change in the Fermi level lineup which significantly affects its I –V curve. The conductance decreases by a factor of 4 ∼ 6 when gold atoms are placed between the molecule and the gold surface to form a filament, and non-linearities develop. The hollow and on-top planar contacts show similar conductivities to each other and produce linear I –V curve. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)" @default.
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- W2008784751 date "2006-07-01" @default.
- W2008784751 modified "2023-10-14" @default.
- W2008784751 title "Electron transport through single alkane molecules with different contact geometries on gold" @default.
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- W2008784751 doi "https://doi.org/10.1002/pssb.200666804" @default.
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