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Download fileElectronic Conduction through Monolayer Amorphous Carbon Nanojunctions
journal contribution
posted on 2022-01-04, 14:13 authored by Nicolas Gastellu, Michael Kilgour, Lena SimineIn
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.
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stable amorphous versionamong 2d systemscoherent electronic transmissioninsulating interior statesfermi energy (<analogous surface stateslevel computational analysismolecular electronic conductionelectronic conductionstates nearenergy spectrumdelocalized statessemiempirical hamiltonianquestions regardingquantum interferencenotable examplelandauer theoryfrontier orbitalsextreme portionsexotic behaviorse defining characteristicsalso found>< sub