• 文献标题:   First-Principles Study of the Interaction Between Graphene and Hydrogen Impurities
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   CHOI KS, PARK CH
  • 作者关键词:   graphene, hydrogen, 2dimension, band gap
  • 出版物名称:   JOURNAL OF THE KOREAN PHYSICAL SOCIETY
  • ISSN:   0374-4884 EI 1976-8524
  • 通讯作者地址:   Pusan Natl Univ
  • 被引频次:   5
  • DOI:  
  • 出版年:   2009

▎ 摘  要

Through first-principles electronic structure calculations, the interaction between graphene and hydrogen impurities is investigated. While pure graphene has a zero band gap, hydrogen absorbed on graphene opens a band gap, which is calculated to be proportional to root rho, where rho is the density of hydrogens adsorbed on graphene. The adsorption energy (E-A) of H is shown to slightly increase as rho increases.