▎ 摘　　要

The geometry, electronic, and magnetic properties of transition metal (TM) atoms adsorbed on the Stone-Wales (SW) defected graphene with or without B-doped were investigated by the first-principles density functional theory (OFT), aiming to study the effect of a combination of B-dopant and SW-defect on the adsorption of TM-adatoms on graphenc. It was found that the introducing of B-dopant enhanced the adsorption of TM-aclatoms, while it hardly affected the electronic structure of defected graphenc. Meanwhile, the magnetic properties of the adsorption systems were mainly contributed by the 3d orbitals of TM-adatoms. We hope our results will be useful for applications in the designing of devices based on graphene. (C) 2015 Elsevier B.V. All rights reserved