• 文献标题:   Asymmetrically Decorated, Doped Porous Graphene As an Effective Membrane for Hydrogen Isotope Separation
  • 文献类型:   Article
  • 作  者:   HANKEL M, JIAO Y, DU AJ, GRAY SK, SMITH SC
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Oak Ridge Natl Lab
  • 被引频次:   62
  • DOI:   10.1021/jp211930a
  • 出版年:   2012

▎ 摘  要

We propose a new route to hydrogen isotope separation which exploits the quantum sieving effect in the context of transmission through asymmetrically decorated, doped porous graphenes. Selectivities of D-2 over H-2 as well as rate constants are calculated based on ab initio interaction potentials for passage through pure and nitrogen functionalized porous graphene. One-sided dressing of the membrane with metal provides the critical asymmetry needed for an energetically favorable pathway.