American Chemical Society
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Electronic Conduction through Monolayer Amorphous Carbon Nanojunctions

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journal contribution
posted on 2022-01-04, 14:13 authored by Nicolas Gastellu, Michael Kilgour, Lena Simine
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 an ensemble-level computational analysis of the coherent electronic transmission through MAC nanofragments in search of defining characteristics. Our analysis, relying on a semiempirical Hamiltonian (Pariser–Parr–Pople) and Landauer theory, showed that states near the Fermi energy (EF) in MAC inherit partial characteristics of analogous surface states in graphene nanofragments. Away from EF, current is carried by a set of delocalized states that transition into a subset of insulating interior states at the extreme portions of MAC’s energy spectrum. Finally, we also found that quantum interference between frontier orbitals is a common feature among MAC nanofragments.