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Doping of fluorographene by surface adsorbates

Lookup NU author(s): Professor Patrick Briddon

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Abstract

Density functional theory is used to investigate the possibility of doping fluorographene by surface adsorbates. The structure and electronic properties of fluorographene with adsorbed K, Li, Au atoms, and F4-TCNQ molecule are described. It is shown that adsorption of K or Li atoms results in electron doping of fluorographene, while Au atoms and F4-TCNQ introduce deep levels inside the band gap. The calculated value of the fluorographene work function is extremely high, 7.3 eV, suggesting that p-type doping is difficult to achieve.

Publication metadata

Author(s): Markevich A, Jones R, Briddon PR

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 2011

Volume: 84

Issue: 11

Print publication date: 22/09/2011

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society

URL: http://dx.doi.org/10.1103/PhysRevB.84.115439

DOI: 10.1103/PhysRevB.84.115439

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