Versatile two-dimensional stanene-based membrane for hydrogen purification

Gao, Guoping, Jiao, Yan, Ma, Fengxian, Jiao, Yalong, Kou, Liangzhi, Waclawik, Eric, & Du, Aijun (2016) Versatile two-dimensional stanene-based membrane for hydrogen purification. International Journal of Hydrogen Energy. (In Press)

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The two-dimensional (2D) honeycomb graphene lattices were demonstrated to be promising hydrogen separation membranes. To effectively operate as hydrogen separation membranes, porous defects and enlargement of pores in these materials must be created. The defect-free 2D stanene (Sn), which is realized in experiment, possesses densely packed intrinsic pores as large as 4.66 Å. This work analysed honeycomb 2D Sn-based membranes for hydrogen purification using density functional theory calculations, and found that a fluorinated 2D Sn membrane exhibits excellent hydrogen purification. This purification performance was then tuned for better balanced permeability and selectivity by applying a moderate strain to the membrane. The defect-free fluorinated 2D Sn membrane was identified as suitable for hydrogen purification.

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ID Code: 97958
Item Type: Journal Article
Refereed: Yes
Keywords: Honeycomb; Gas separation; Permeability; Selectivity; Defect-free; Upper bound relationship
DOI: 10.1016/j.ijhydene.2016.07.119
ISSN: 0360-3199
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2016 Elsevier
Copyright Statement: Licensed under the Creative Commons Attribution; Non-Commercial; No-Derivatives 4.0 International. DOI: 10.1016/j.ijhydene.2016.07.119
Deposited On: 08 Aug 2016 02:01
Last Modified: 14 Aug 2016 07:14

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