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 ferromagnetic 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.

使用密度泛函理论研究了掺杂贵金属元素（NME：Ag、Au 和 Pt）的类石墨烯 ZnO 单层 (g-ZnO) 的磁性和光电特性。表明NMEs的掺杂可以将g-ZnO转移到磁性材料中，调节能带结构，减小带隙和功函数，使g-ZnO成为半金属化的。考虑掺杂原子的磁耦合，随着两个相同掺杂原子（Au 或 Pt）之间的距离增加，g-ZnO 经历非磁性到铁磁性或铁磁性到反铁磁性的转变。此外，吸收光谱表现出红移现象，将 g-ZnO 的吸收范围扩大到可见光区域。这些促进了 NME 掺杂 g-ZnO 在自旋电子器件和光催化降解。