▎ 摘　　要

We present a study of Ti-adatoms adsorbed on the double-vacancy defected graphene (DG) consisting of pentagonal and octagonal carbon rings using density functional theory (DFT) method. It is shown that the Ti-adatoms can be stably adsorbed on the hollow sites of carbon ring and the appearance of defect enlarges the adsorption energy of Ti atoms than that on perfect graphene. Furthermore, the strong interaction between Ti-adatoms and defected graphene prevents the Ti-adatoms to form clusters. Interestingly, the Ti-9 adsorbed on the DG exhibit symmetry structure. Moreover, the PDOS results show that the hybridization among the Ti-adatoms and the magnetic property of adsorption systems are mainly contributed by the Ti-3d orbitals. These results could provide useful information for the design of metal-carbon coating for the applications based on graphene. (C) 2015 Elsevier B.V. All rights reserved.