Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 116, Issue 11, Pages 6672-6676Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp211930a
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Funding
- Australian Research Council (LIEF) [LE0882357]
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
- Center for Nanophase Materials Sciences
- 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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