• 文献标题:   Physisorption mechanism in graphene/noble metal (111)/Ni(111) heterostructures: An ab-initio study
  • 文献类型:   Article
  • 作  者:   MOADDELI M, SALEHI H, AMIRI P
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:   Shahid Chamran Univ Ahvaz
  • 被引频次:   0
  • DOI:   10.1063/1.4960696
  • 出版年:   2016

▎ 摘  要

The 3D stacking of various 2D systems is an intelligent way of aiming to overcome the limitations usually faced by 2D systems. We study the adsorption of graphene on noble metal monolayers upon Ni (111) substrate, using density functional theory. The bonding mechanism at noble metal-graphene and noble metal-Ni interfaces is found to be physisorption and chemisorption, respectively. The bonding of graphene to Cu, Ag, and Au (111) monolayers is so weak that the conical shape of the Dirac point is preserved. The doping effects of a substrate lead to a small opening gap for gr/Cu/Ni and gr/Ag/Ni systems. These predictions are in agreement with experimental results. The intercalation of a noble metal monolayer between graphene and Ni (111) substrate changes the magnetic response from Ni surface and causes the formation of a ferrimagnetic system. Published by AIP Publishing.