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Charge transfer doping of graphene without degrading carrier mobility

Accepted version
Peer-reviewed

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Authors

Lu, Haichang 
Guo, Yuzheng 
Robertson, John 

Abstract

Density functional calculations are used to analyze the charge transfer doping mechanism by molecules absorbed onto graphene. Typical dopants studied are AuCl3, FeCl3, SbF5, HNO3, MoO3, Cs2O, O2, and OH. The Fermi level shifts are correlated with the electron affinity or ionization potential of the dopants. We pay particular attention to whether the dopants form direct chemisorptive bonds which cause the underlying carbon atoms to pucker to form sp3 sites as these interrupt the p bonding of the basal plane, and cause carrier scattering and thus degrade the carrier mobility. Most species even those with high or low electronegativity do not cause puckering. In contrast, reactive radicals like -OH cause puckering of the basal plane, creating sp3 sites which degrade mobility.

Description

Keywords

51 Physical Sciences, 5104 Condensed Matter Physics

Journal Title

JOURNAL OF APPLIED PHYSICS

Conference Name

Journal ISSN

0021-8979
1089-7550

Volume Title

121

Publisher

AIP Publishing
Sponsorship
Engineering and Physical Sciences Research Council (EP/P005152/1)