Electronic and photocatalytic properties of two-dimensional boron phosphide/SiC van der Waals heterostructure with direct type-II band alignment: a first principles study
Thi-Nga Do, M. Idrees, B. Amin, Nguyen N. Hieu, Huynh V. Phuc, Nguyen Van Hieu, Le T. Hoa, Chuong V. Nguyen
Abstract
. The band edges of the BP-SiC heterostructure are located at energetically favourable positions, indicating that the BP-SiC heterostructure is able to split water under working conditions of pH = 0-3. Our theoretical results provide not only a fascinating insight into the essential properties of the BP-SiC vdW heterostructure, but also helpful information for the experimental design of new vdW heterostructures.
Topics & Concepts
Heterojunctionvan der Waals forceMaterials scienceAbsorption (acoustics)Band gapOptoelectronicsMonolayerDirect and indirect band gapsPhosphideNanotechnologyChemistryComposite materialMetallurgyNickelMoleculeOrganic chemistry2D Materials and ApplicationsGraphene research and applicationsMXene and MAX Phase Materials