The quantum transport of pyrene and its silicon-doped variant: a DFT-NEGF approach
نویسندگان
چکیده
منابع مشابه
Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF
Electron transport properties of pure and Oxygen and/or Methyl substituted pyrene between two semi-infinite Aluminum atomic electrodes have been investigated by means of density functional theory plus the non-equilibrium green’s function method. The electrodes were represented by a slab of Al atoms oriented along the [111] plane. The computations were carried out in the bias voltage range of 0....
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ژورنال
عنوان ژورنال: Journal of Computational Electronics
سال: 2015
ISSN: 1569-8025,1572-8137
DOI: 10.1007/s10825-015-0692-2