Issue 66, 2019

The electrical properties and modulation of g-C3N4/β-As and g-C3N4/β-Sb heterostructures: a first principles study

Abstract

The electronic properties of the g-C3N4/β-As and g-C3N4/β-Sb heterojunctions are investigated via density functional theory. We find that both heterostructures are indirect band gap semiconductors that, when applied to a photocatalytic device, will suffer from inefficient light emission. Fortunately, the band gap of the two junctions can be adjusted by external biaxial strain. As strain increases from compression to extensive, both compounds undergo a transition from metals, indirect semiconductors to direct semiconductors. Moreover, due to the charge transfer, each junction forms a large built-in electric field, which helps to prevent the recombination of electrons and holes. Our results are expected to widen the potential applications of these heterojunctions in nanodevices.

Graphical abstract: The electrical properties and modulation of g-C3N4/β-As and g-C3N4/β-Sb heterostructures: a first principles study

Article information

Article type
Paper
Submitted
14 Aug 2019
Accepted
28 Oct 2019
First published
26 Nov 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 38724-38729

The electrical properties and modulation of g-C3N4/β-As and g-C3N4/β-Sb heterostructures: a first principles study

B. Liang, Y. Rao and X. Duan, RSC Adv., 2019, 9, 38724 DOI: 10.1039/C9RA06357A

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