▎ 摘 要
The magnetic and optoelectronic properties of graphene-like ZnO monolayers (g-ZnO) doped with noble metal elements (NME: Ag, Au, and Pt) were investigated using density functional theory. It shows that the doping of NMEs can transfer the g-ZnO into magnetic material, regulate the band structure, decrease the band gap and the work function, making the g-ZnO semi-metallic. Consider the magnetic coupling of the dopant atoms, as the distance between two same doping atoms (Au or Pt) increases, the g-ZnO undergoes nonmagnetic to ferro-magnetic or ferromagnetic to antiferromagnetic transitions. Additionally, the absorption spectrum demonstrates a red-shift phenomenon, expanding the absorption range of g-ZnO to the visible region. These promote the applications of NME-doped g-ZnO in spintronic devices and photocatalytic degradation.