First-principle study of the transition-metal adatoms on B-doped vacancy-defected graphene
详细信息 查看全文
- 作者：Qingxiao Zhoua ; c ; Zhibing Fua ; Yongjian Tanga ; b ; Hong Zhangc ; Chaoyang Wanga ; b ; wangchy807@caep.ac.cn" class="auth_mail
- 关键词：Vacancy ; Transition-metal atom ; Adsorption ; Graphene
- 刊名：Physica E
- 出版年：June 2014
- 年：2014
- 卷：60
- 期：Complete
- 页码：133-138
- 全文大小：4263 K
文摘
- •
The C atoms located at the vacancy sites were more active to absorb the TM atoms than perfect graphene.
- •
The introduction of B-dopant decreased the adsorption energy of TM-adatom due to the interaction with C atoms.
- •
The dopant-defect and TM adatoms jointly affected the electronic and magnetic properties of graphene significantly.