Charge Transport Properties of Molecular Junctions Built from Dithiol Polyenes
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چکیده
منابع مشابه
First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire
We report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two Au (100) electrodes. We show that the current was increased by increasing of the external voltage biases. The projected density of states (PDOS) and transmission coefficients (T(E)) under various external voltage biases are analyzed, and it suggests t...
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ژورنال
عنوان ژورنال: Theoretical Chemistry Accounts
سال: 2006
ISSN: 1432-881X,1432-2234
DOI: 10.1007/s00214-006-0125-1