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The simulation of molecular and organic devices: A critical review and look at future developments
(2007)Molecular devices have lately attracted increased attention due to some appealing features such as their low production cost, flexibility in the substrate choice, possibility of large area deployment, and possibly higher ... -
The influence of thermal fluctuations on the electronic transport of alkeno-thiolates
(2004)In this paper, we investigate the influence of molecular vibrations on the tunneling of electrons through alkeno-thiolates of varying lengths sandwiched in between two gold contacts. The study is confined to the elastic ... -
Negative quantum capacitance of gated carbon nanotubes
(AMERICAN PHYSICAL SOC, 2005)Atomistic density functional theory (DFT) calculations of the capacitance between a metallic cylindric gate and a carbon nanotube (CNT) are reported. We find that the quantum capacitance of the CNT becomes negative as the ...