Effects of structural imperfection on the electronic properties of graphene/WSe2 heterostructures
Journal
Journal of Materials Chemistry C
Journal Volume
5
Journal Issue
39
Start Page
10383
End Page
10390
ISSN
20507534
Date Issued
2017
Author(s)
Abstract
Two-dimensional (2D) material-based van der Waals (vdW) heterostructures have recently attracted much attention because the combined merits of two 2D monolayers enable many novel applications in nanoelectronic and optoelectronic devices. The recently synthesized graphene/WSe2 vdW heterostructures are especially appealing, and understanding the effect of structural imperfection on the electronic properties of the graphene/WSe2 vdW heterostructures is important for their practical application. In this study, we used first-principles calculations to investigate the structural and electronic properties of a graphene monolayer stacked on a WSe2 monolayer with various structural defects: two Se vacancies (WSe2-Vdi-Se) and W vacancy (WSe2-VW). After the structural defects were introduced, the calculated properties of the graphene/WSe2 vdW heterostructure were significantly changed. Therefore, it is extremely important to prepare defect-free WSe2 for the nanoelectronics applications with dedicated function. On the other hand, the artificial generation of defects may provide a new approach to tune the electronic properties of graphene/WSe2 vdW heterostructures. Moreover, by varying the interlayer coupling or by applying a perpendicular electric field, it is possible to further modulate the electronic properties of graphene/WSe2 and graphene/WSe2-Vdi-Se vdW heterostructures. These theoretical results are expected to provide useful guidelines for the design of novel nanodevices based on graphene/WSe2 vdW heterostructures. © 2017 The Royal Society of Chemistry.
Publisher
Royal Society of Chemistry
Type
journal article