Electron Transfer on Impurity doped Graphene Nanoribbon

TL;DR

This study uses advanced simulation methods to analyze how impurity doping affects the electronic transport properties of graphene nanoribbons, revealing increased conductance and altered transmission characteristics.

Contribution

It introduces a combined non-equilibrium Green's function and density functional theory approach to study impurity effects in graphene nanoribbons.

Findings

Impurity levels appear in electronic structures.

Doped AGNRs show higher conductance.

Transmission quantization is moderated in doped AGNRs.

Abstract

Electronic transport properties in armchair shaped edges graphene nanoribbons (AGNRs) doped various impurities have been simulated by the non-equilibrium Green's function approach combined with the first principle calculation based on the density functional theory. We have observed that impurity levels appear in electronic struc-tures, and that the quantization of transmission function is moderated for doped AGNRs. The I-V characteristic can be computed from the transmission function. Our simulation results show that AGNRs doped impurities have higher conductance than the non-doped one.