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• W3100361469 abstract "Current rectification effect in an asymmetric molecule HCOO-C6H4-(CH2)n sandwiched between two aluminum electrodes has been studied using an ab initio nonequilibrium Green's function method. The conductance of the system decreases exponentially with the increasing number n of CH2. The phenomenon of current rectification is observed such that a very small current appears at negative bias and a sharp negative differential resistance at a critical positive bias when n>or=2. The rectification effect arises from the asymmetric structure of the molecule and the molecule-electrode couplings. A significant rectification ratio of approximately 38 can be achieved when n=5." @default.
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• W3100361469 date "2006-12-22" @default.
• W3100361469 modified "2023-09-27" @default.
• W3100361469 title "Current rectification by asymmetric molecules: An <i>ab initio</i> study" @default.
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• W3100361469 doi "https://doi.org/10.1063/1.2409689" @default.
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