4.6 Article

Asymmetrically Decorated, Doped Porous Graphene As an Effective Membrane for Hydrogen Isotope Separation

期刊

JOURNAL OF PHYSICAL CHEMISTRY C
卷 116, 期 11, 页码 6672-6676

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AMER CHEMICAL SOC
DOI: 10.1021/jp211930a

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资金

  1. Australian Research Council (LIEF) [LE0882357]
  2. U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
  3. Center for Nanophase Materials Sciences
  4. Oak Ridge National Laboratory by the Scientific User Facilities Division, US Department of Energy

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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.

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