Tuesday, November 03, 2015

The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach

Nanoscale, 2015, Advance Article
DOI: 10.1039/C5NR04245C, Paper
A. M. Souza, I. Rungger, U. Schwingenschlogl, S. Sanvito
We present a combination of density functional theory and of both non-equilibrium Green's function formalism and a Master equation approach to accurately describe quantum transport in molecular junctions in the Coulomb blockade regime.
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