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Electrical and Mechanical Switching in a Realistic [2]Rotaxane Device Model

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Improving the efficiency of our first-principles calculation approach to the charge transport properties of nanoscale junctions, we consider an electronic device model based on the full rotaxane molecular structure including stoppers. We demonstrate that the conformational switching of molecules from the ground-state to the metastable-state conformation can be activated and the corresponding electrical switching from the OFF to the ON state can be observed in the rotaxane-based solid-state tunnel junctions.
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Keywords: MOLECULAR ELECTRONICS; MULTISCALE COMPUTATION; SUPRAMOLECULES

Document Type: Research Article

Publication date: 2008-09-01

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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