KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2017-04-26
Print Publication Date2017-05-10
Permanent link to this recordhttp://hdl.handle.net/10754/623450
MetadataShow full item record
AbstractIn this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe2 using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe2 and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe2 and a p-type Schottky contact with bilayer PtSe2 is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.
CitationSattar S, Schwingenschlögl U (2017) Electronic Properties of Graphene–PtSe2 Contacts. ACS Applied Materials & Interfaces. Available: http://dx.doi.org/10.1021/acsami.7b00012.
SponsorsThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Fruitful discussions with M. Sajjad and N. Singh are gratefully acknowledged. This publication was made possible by a National Priorities Research Program grant (NPRP 7-665-1-125) from the Qatar National Research Fund (a member of The Qatar Foundation). The statements made herein are solely the responsibility of the authors.
PublisherAmerican Chemical Society (ACS)