• 文献标题:   Role of oxygen functionality on the band structure evolution and conductance of reduced graphene oxide
  • 文献类型:   Article
  • 作  者:   ROY R, THAPA R, CHAKRABARTY S, JHA A, MIDYA PR, KUMAR EM, CHATTOPADHYAY KK
  • 作者关键词:   graphene oxide, band structure, dft, transport
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Jadavpur Univ
  • 被引频次:   3
  • DOI:   10.1016/j.cplett.2017.03.079
  • 出版年:   2017

▎ 摘  要

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.