Noble metals induced magnetic properties of graphene

作者：Tang, Yanan; Yang, Zongxian^*; Dai, Xianqi

来源：Journal of Magnetism and Magnetic Materials, 2011, 323(20): 2441-2447.

DOI：10.1016/j.jmmm.2011.05.004

• The first-principle
• Magnetic property
• Noble metal
• Graphene

The adsorption energies, stable configurations, electronic structures, and magnetic properties of the graphene with noble metal (NM = Pt, Ag, and Au) atom adsorption were investigated using first-principles density-functional theory. It is found that the bridge site is the most stable adsorption site for the Pt adatom; the Ag adatom can be stabilized almost equally at the bridge or the top site, while the Au adatom prefers to be adsorbed at top site. The Pt-graphene interaction is stronger than the interaction of Ag-graphene and Au-graphene, since the Pt atom has an unsaturated electronic d-shell (d(9)s(1)). While there is no net magnetic moment for the Pt adatom, the Ag and Au adatoms still exhibit magnetic character on the graphene. The magnetic moments of the NM-graphene systems may be quenched (e.g., Pt-graphene), reduced (e.g., Ag-graphene) or not changed (e.g., Au-graphene) as compared with the values before adsorption. Therefore, the magnetic character of the adatom-graphene system can be turned by adsorbing different NM atoms on the graphene.

• 出版日期2011-10
• 单位河南师范大学