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    Electronic Properties of Graphene–PtSe2 Contacts

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    Type
    Article
    Authors
    Sattar, Shahid cc
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2017-04-26
    Online Publication Date
    2017-04-26
    Print Publication Date
    2017-05-10
    Permanent link to this record
    http://hdl.handle.net/10754/623450
    
    Metadata
    Show full item record
    Abstract
    In 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.
    Citation
    Sattar S, Schwingenschlögl U (2017) Electronic Properties of Graphene–PtSe2 Contacts. ACS Applied Materials & Interfaces. Available: http://dx.doi.org/10.1021/acsami.7b00012.
    Sponsors
    The 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.
    Publisher
    American Chemical Society (ACS)
    Journal
    ACS Applied Materials & Interfaces
    DOI
    10.1021/acsami.7b00012
    Additional Links
    http://pubs.acs.org/doi/abs/10.1021/acsami.7b00012
    ae974a485f413a2113503eed53cd6c53
    10.1021/acsami.7b00012
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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