• 文献标题:   Adsorption of Hydrogen, Alkali Metal, and Halogen Atoms on Graphene: Adatom Charge Calculation
  • 文献类型:   Article
  • 作  者:   DAVYDOV SY, SABIROVA GI
  • 作者关键词:  
  • 出版物名称:   TECHNICAL PHYSICS LETTERS
  • ISSN:   1063-7850
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   22
  • DOI:   10.1134/S1063785011060034
  • 出版年:   2011

▎ 摘  要

The adsorption of an atom with a single valence s electron (hydrogen, alkali metals) or with a single valence p-vacancy (halogens) on the surface of a graphene monolayer is considered and the adatom charge is calculated. Cases where the adatom-graphene sigma bonds are formed with the participation of p, sp, sp(2), and sp(3) states of carbon atoms are analyzed. It is established that the character of hybridization rather weakly influences the charge transfer. The character of adatom charge variation in the series Li -> Cs and F -> I is analyzed.