• 文献标题:   Graphene-mediated interaction between hydrogen adsorbates
  • 文献类型:   Article
  • 作  者:   NOORI K, BISWAS H, QUEK SY, RODIN A
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Natl Univ Singapore
  • 被引频次:   1
  • DOI:   10.1103/PhysRevB.101.115421
  • 出版年:   2020

▎ 摘  要

Interaction between adsorbed hydrogen atoms in graphene is studied using a combination of DFT and the path integral formalism. Our results reveal a complex nonmonotonic interaction profile. We show that the strength and sign of the interaction are dictated by the adsorbate arrangement, as well as the system doping. The path integral approach given here allows one to compute energies and densities in an efficient manner without relying on exact diagonalization.