• 文献标题:   Crystallite Size Dependent Superparamagnetic Properties of Gold Doped Reduced Graphene Oxide Nanocomposite: An Experimental and Density Functional Theory Study
  • 文献类型:   Article
  • 作  者:   IDISI DO, BENECHA EM
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF INORGANIC ORGANOMETALLIC POLYMERS MATERIALS
  • ISSN:   1574-1443 EI 1574-1451
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1007/s10904-023-02538-7 EA JAN 2023
  • 出版年:   2023

▎ 摘  要

The current study focuses on the superparamagnetic properties of reduced graphene oxide achieved through varying the crystallite size of rGO nanosheet and incorporating gold nanoparticles (Au-NP). Superparamagnetic features were observed for rGO and Au-NP functionalized rGO (rGO: Au-NP) with corresponding low remanence and coercivity. The superparamagnetic features can be attributed to the crystallite sizes of rGO and rGO: Au-NP as evidenced from X-ray diffraction crystallite size analysis. Density functional theory calculations showed the formation of additional unoccupied states with a corresponding increase in spin density contributions from the hydroxyl functional group and Au atomic doping. The partial density of states revealed C-2p, O-2p, and Au-5d orbitals as the major contributors to the magnetic properties of rGO composites.