• 文献标题:   High-capacity hydrogen storage by metallized graphene
  • 文献类型:   Article
  • 作  者:   ATACA C, AKTURK E, CIRACI S, USTUNEL H
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Bilkent Univ
  • 被引频次:   303
  • DOI:   10.1063/1.2963976
  • 出版年:   2008

▎ 摘  要

First- principles plane wave calculations predict that Li can be adsorbed on graphene forming a uniform and stable coverage on both sides. A significant part of the electronic charge of the Li 2s orbital is donated to graphene and is accommodated by its distorted pi*- bands. As a result, semimetallic graphene and semiconducting graphene ribbons change into good metals. It is even more remarkable that Li covered graphene can serve as a high- capacity hydrogen storage medium with each adsorbed Li absorbing up to four H2 molecules amounting to a gravimetric density of 12.8 wt %. (c) 2008 American Institute of Physics.