• 文献标题:   Hydrogen storage by spillover on graphene as a phase nucleation process
  • 文献类型:   Article
  • 作  者:   LIN Y, DING F, YAKOBSON BI
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Rice Univ
  • 被引频次:   146
  • DOI:   10.1103/PhysRevB.78.041402
  • 出版年:   2008

▎ 摘  要

Hydrogen chemisorption on graphene receptor-substrate is of great interest for energy storage. However, it is difficult to reconcile with a single H atom binding to carbon being weaker than it is within initial molecular H-2. This paradox is resolved by presenting the process as phase nucleation in the reaction Rec(solid)+H-2(gas)<->(H center dot Rec)(solid), with the nucleus' energy separable into the Gibbs formation potential and the interface part. Atomistic calculations bridge remarkably with the macroscopic-continuum description and show a feasible path to 7.7 wt % H content at nearly ambient conditions.