Title Fluorographane : a promising material for bipolar doping of $MoS_{2}$ Author Çakir, Deniz Peeters, François M. Faculty/Department Faculty of Sciences. Physics Publication type article Publication 2015 Cambridge , 2015 Subject Physics Chemistry Source (journal) Physical chemistry, chemical physics / Royal Society of Chemistry [London] - Cambridge, 1999, currens Volume/pages 17(2015) :41 , p. 27636-27641 ISSN 1463-9076 ISI 000363193800043 Carrier E Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp Abstract Using first principles calculations we investigate the structural and electronic properties of interfaces between fluorographane and MoS2. Unsymmetrical functionalization of graphene with H and F results in an intrinsic dipole moment perpendicular to the plane of the buckled graphene skeleton. Depending on the orientation of this dipole moment, the electronic properties of a physically absorbed MoS2 monolayer can be switched from n-to p-type or vice versa. We show that one can realize vanishing n-type/p-type Schottky barrier heights when contacting MoS2 to fluorographane. By applying a perpendicular electric field, the size of the Schottky barrier and the degree of doping can be tuned. Our calculations indicate that a fluorographane monolayer is a promising candidate for bipolar doping of MoS2, which is vital in the design of novel technological applications based on two-dimensional materials. E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000363193800043&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000363193800043&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 https://repository.uantwerpen.be/docman/iruaauth/0d25fe/129477.pdf Full text (open access) https://repository.uantwerpen.be/docman/irua/ca31d2/129477_2016_09_25.pdf E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000363193800043&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle