4.6 Article

Role of oxygen functionality on the band structure evolution and conductance of reduced graphene oxide

Journal

CHEMICAL PHYSICS LETTERS
Volume 677, Issue -, Pages 80-86

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2017.03.079

Keywords

Graphene oxide; Band structure; DFT; Transport

Funding

  1. Council of Scientific and Industrial Research (CSIR), Government of India
  2. UGC for 'University with potential for excellence scheme (UPEII)'
  3. DST, the Government of India
  4. SRM University

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Here we report, structural and electrical transport properties of reduced graphene oxide as a function of oxygen bonding configuration. We find that mainly epoxy (C-O-C) and carbonyl (C=O) functional groups remain as major residual components after reduction using three different reducing agents. We calculate the band structure in the presence of epoxy and carbonyl groups and defects. Finally, we calculate the theoretical band mobility and find that it is less for the carbonyl with epoxy system. We correlate the distortion of linear dispersion and opening of bandgap at K-point with conductance for different graphene system in presence of oxygen moieties. (C) 2017 Published by Elsevier B.V.

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