The Quantum Transport of Pyrene and its Silicon-Dopped Variant: A DFT-NEGF Approach

Alireza Rastkar Ebrahimzade, Badie Ghavami, Jaber Jahanbin Sardroodi +2

The quantum conductance properties of pyrene molecule and its silicone-doped variant between semi-infinite aluminum nano-chains have been investigated by using the density function…