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Electronic Conduction Through Monolayer Amorphous Carbon Nano-Junctions

Authors :
Gastellu, Nicolas
Kilgour, Michael
Simine, Lena
Publication Year :
2021

Abstract

In molecular electronic conduction, exotic lattice morphologies often give rise to exotic behaviors. Among 2D systems, graphene is a notable example. Recently, a stable amorphous version of graphene called Monolayer Amorphous Carbon (MAC) was synthesized. MAC poses a new set of questions regarding the effects of disorder on conduction. In this Letter, we perform ensemble-level computational analysis of the coherent electronic transmission through MAC nano-fragments in search of defining characteristics. Our analysis, relying on a semi-empirical Hamiltonian (Pariser-Parr-Pople) and Landauer theory, showed that states near the Fermi energy ($E_F$) in MAC inherit partial characteristics of analogous surface states in graphene nano-fragments. Away from $E_F$, current is carried by a set of delocalized states which transition into a subset of insulating interior states at the band edges. Finally, we also found that quantum interference between the frontier orbitals is a common feature among MAC nano-fragments.

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.2111.05837
Document Type :
Working Paper