• 文献标题:   Hydrogen interaction with fullerenes: From C-20 to graphene
  • 文献类型:   Article
  • 作  者:   VEHVILAINEN TT, GANCHENKOVA MG, OIKKONEN LE, NIEMINEN RM
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Aalto Univ
  • 被引频次:   10
  • DOI:   10.1103/PhysRevB.84.085447
  • 出版年:   2011

▎ 摘  要

The paper presents a systematic study of the trends in the interaction of hydrogen with carbon fullerenes versus their curvature, where graphene is taken as the limit of zero curvature. The efficiency of hydrogen incapsulation in fullerenes, penetration into them, and adsorption on their surface are analyzed and discussed. The effects on magnetism are also considered; in particular, it is shown that hydrogen adsorption to some fullerenes induces magnetism to initially nonmagnetic systems. In addition, highly hydrogen-saturated fullerenes are examined and the suitability of fullerenes for hydrogen storage is discussed.