• 文献标题:   Hydrogen adatom interaction on graphene: A first principles study
  • 文献类型:   Article
  • 作  者:   ZHANG W, LU WC, ZHANG HX, HO KM, WANG CZ
  • 作者关键词:   hydrogen adsorption on graphene, adatom interaction energy, lattice distortion, electron localization, magnetic moment
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   Jilin Univ
  • 被引频次:   5
  • DOI:   10.1016/j.carbon.2018.01.096
  • 出版年:   2018

▎ 摘  要

Interaction between two hydrogen adatoms on graphene was studied by first-principles calculations. We showed that there is an attraction between two H adatoms on graphene. However, the strength of interaction between two hydrogen adatoms and magnetic properties of graphene are strongly dependent on the residence of the two adatoms on the graphene sublattices. Hydrogen adatoms introduce lattice distortion and electron localization in graphene which mediate the attractive interaction between the two H adatoms. (c) 2018 Published by Elsevier Ltd.