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Updated: Sep 24, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Tunable gap in stable arsenene nanoribbons opens the door to electronic applications
A García-Fuente1, J Carrete2, A Vega3
1Departamento de Física, Universidad de Oviedo E-33007 Oviedo Spain garciaamador@uniovi.es.
Abstract:
Arsenic has been predicted to present significantly more diverse 2D phases than other elemental compounds like graphene. While practical applications must be based on finite arsenene samples, like nanoribbons, theory has so far focused on the infinite sheet. Our ab initio simulations show the clear contrast between the properties of arsenene nanoribbons and those of the monolayer, ranging from phase stability to electronic structure. We include nanoribbons derived from the buckled, puckered and square/octagon structures of bulk arsenene. The flexibility afforded by different parent structures, widths and edge passivations leads to a rich variety of semiconducting structures with tunable gaps.
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