Literature DB >> 24854987

Helium isotope enrichment by resonant tunneling through nanoporous graphene bilayers.

Salvatore Mandrà1, Joshua Schrier, Michele Ceotto.   

Abstract

Graphene is impermeable to gases, but introducing subnanometer pores can allow for selective gas separation. Because graphene is only one atom thick, tunneling can play an important role, especially for low-mass gases such as helium, and this has been proposed as a means of separating (3)He from (4)He. In this paper, we consider the possibility of utilizing resonant tunneling of helium isotopes through nanoporous graphene bilayers. Using a model potential fit to previously reported DFT potential energy surfaces, we calculate the thermal rate constant as a function of interlayer separation using a recently described time-independent method for arbitrary multibarrier potentials. Resonant transmission allows for the total flux rate of (3)He to remain the same as the best-known single-barrier pores but doubles the selectivity with respect to (4)He when the optimal interlayer spacing of 4.6 Å is used. The high flux rate and selectivity are robust against variations of the interlayer spacing and asymmetries in the potential that may occur in experiment.

Entities:  

Year:  2014        PMID: 24854987     DOI: 10.1021/jp502548r

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  3 in total

1.  Differential Diffusion of Helium Isotopes in Glass, Quantum-tunneling 3He Enrichment, and Portable 3He/4He Monitoring of Mantle Processes.

Authors:  Gary M McMurtry; James R DeLuze; David R Hilton; James E Blessing
Journal:  Sci Rep       Date:  2019-03-26       Impact factor: 4.379

2.  Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory.

Authors:  Giacomo Mandelli; Chiara Aieta; Michele Ceotto
Journal:  J Chem Theory Comput       Date:  2022-01-07       Impact factor: 6.006

3.  Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation.

Authors:  Yuanyuan Qu; Feng Li; Hongcai Zhou; Mingwen Zhao
Journal:  Sci Rep       Date:  2016-01-27       Impact factor: 4.379

  3 in total

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