▎ 摘　　要

The geometric stability, electronic structure and magnetic properties of the Pt-4 clusters on graphene substrates are investigated using the first-principles methods. It is found that the Pt-4 clusters on the defective graphene with a single vacancy defect (SV-graphene) have larger binding energies than that on the pristine graphene. The different position of SV sites can modulate the geometric stability of Pt-4 clusters. The Pt-4 clusters provide more transferred electrons to the SV-graphene and exhibit the positively charged, which helps to weaken the CO adsorption. The results would be important for understanding that the adsorption behavior of metal clusters on graphene.