Calculations of helium separation via uniform pores of stanene-based membranes

Gao, Guoping, Jiao, Yan, Jiao, Yalong, Ma, Fengxian, Kou, Liangzhi, & Du, Aijun (2015) Calculations of helium separation via uniform pores of stanene-based membranes. Beilstein Journal of Nanotechnology, 6, pp. 2470-2476.

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The development of low energy cost membranes to separate He from noble gas mixtures is highly desired. In this work, we studied He purification using recently experimentally realized, two-dimensional stanene (2D Sn) and decorated 2D Sn (SnH and SnF) honeycomb lattices by density functional theory calculations. To increase the permeability of noble gases through pristine 2D Sn at room temperature (298 K), two practical strategies (i.e., the application of strain and functionalization) are proposed. With their high concentration of large pores, 2D Sn-based membrane materials demonstrate excellent helium purification and can serve as a superior membrane over traditionally used, porous materials. In addition, the separation performance of these 2D Sn-based membrane materials can be significantly tuned by application of strain to optimize the He purification properties by taking both diffusion and selectivity into account. Our results are the first calculations of He separation in a defect-free honeycomb lattice, highlighting new interesting materials for helium separation for future experimental validation.

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ID Code: 91632
Item Type: Journal Article
Refereed: Yes
Additional URLs:
Keywords: fluorination; gas purification; honeycomb lattice
DOI: 10.3762/bjnano.6.256
ISSN: 2190-4286
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2015 Gao et al; licensee Beilstein-Institut
Copyright Statement: This is an Open Access article under the terms of the Creative Commons Attribution License (, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
The license is subject to the Beilstein Journal of Nanotechnology terms and conditions: (
Deposited On: 05 Jan 2016 22:53
Last Modified: 06 Jan 2016 23:14

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