First-principles study of exohedral and substitutional chemical functionalization of graphene

K. Iyakutti, V. J. Surya, Yoshiyuki Kawazoe

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)

Abstract

This first-principles study deals with chemical functionalization of graphene by nitrogen molecule, N2 and electron deficient boron and electron rich nitrogen atoms. The interaction of these chemical species with the graphene lattice is reflected in the electronic structure of graphene. We can obtain p-type and n-type graphene with the substitution of boron and nitrogen atoms respectively. On co-substitution of these atoms, the band gap closes. The results suggest that complementary doping is also applicable for graphene as in silicon.

Original languageEnglish
Title of host publicationSolid State Physics - Proceedings of the 56th DAE Solid State Physics Symposium 2011
Pages293-294
Number of pages2
Edition1
DOIs
Publication statusPublished - 2012 Dec 1
Event56th DAE Solid State Physics Symposium 2011 - Kattankulathur, Tamilnadu, India
Duration: 2011 Dec 192011 Dec 23

Publication series

NameAIP Conference Proceedings
Number1
Volume1447
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other56th DAE Solid State Physics Symposium 2011
CountryIndia
CityKattankulathur, Tamilnadu
Period11/12/1911/12/23

Keywords

  • Graphene
  • adsorption
  • doping
  • electronic structure

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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