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First-principles study of the electronic transport properties in (GaAs)n () nanocluster-based molecular junctions

โœ Scribed by Daoli Zhang; Yuanlan Xu; Jianbing Zhang; Xiangshui Miao


Book ID
118136413
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
875 KB
Volume
376
Category
Article
ISSN
0375-9601

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By applying non-equilibrium Green's function (NEGF) formalism combined with first-principles density functional theory (DFT), we have investigated the electronic transport properties of the anthraquinonebased molecular switch. The molecule that comprises the switch can be converted between the hydro