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Bond states, moiré pattern and bandgap modulation of two-dimensional BN/SiC van der Waals heterostructures

Abstract

The matched lattice strain of the graphene/hexagonal boron nitride (BN) heterojunction that is less than 2% is known to form a moiré pattern. However, in BN/SiC heterojunction, the formation of a moiré pattern for lattice strain more than 5% is a novel phenomenon. This study aims to determine moiré patterns on the BN/SiC heterojunction at lattice strains of 5% and 7% and different incident angles, which can be applied to photoelectric detection technology. The BN/SiC-1 and BN/SiC-2 heterojunctions formed in this study had bandgaps of 0.851 and 1.373 eV, respectively. Furthermore, we observed that when two BN/SiC heterojunctions have indirect bandgaps, the BN/SiC van der Waals heterojunction can be a potential photocatalytic material. We analyze the bonding states using the bond-charge model and calculate the potential functions of the antibonding, bonding, and nonbonding states. This study provides a theoretical reference for the precise regulation of the charge density and chemical bonding states of the 2D material surface.

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Article information


Submitted
29 Apr 2020
Accepted
22 Jun 2020
First published
22 Jun 2020

This article is Open Access

Mater. Adv., 2020, Accepted Manuscript
Article type
Paper

Bond states, moiré pattern and bandgap modulation of two-dimensional BN/SiC van der Waals heterostructures

M. Bo, H. Li, A. Deng, L. Li, C. Yao, Z. Huang and C. Peng, Mater. Adv., 2020, Accepted Manuscript , DOI: 10.1039/D0MA00258E

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