科研之友
微信
新浪微博
Facebook
分享链接
摘要
We present density functional calculations of the adsorption of a single Au atom on the h-BN/Rh(111) nanomesh and compare it to Au adsorption on a pure h-BN surface. While Au binds only weakly to pure h-BN (similar to graphene) or to BN at the "wires" of the nanomesh, the subsurface Rh atoms in the "pores" of the nanomesh modify the electronic structure of h-BN considerably and Au adsorbs strongly on top of the B atoms. A large outward relaxation of the B atom accompanies the strong covalent interaction and, in addition, the Au atoms are significantly charged. The results provide a first explanation of the ability of the h-BN nanomesh to trap small metal clusters in its pores.
- 出版日期2011-12-9
