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Issue 16, 2013
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Porous silicene as a hydrogen purification membrane

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We investigated theoretically the hydrogen permeability and selectivity of a porous silicene membrane via first-principles calculations. The subnanometer pores of the silicene membrane are designed as divacancy defects with octagonal and pentagonal rings (585-divacancy). The porous silicene exhibits high selectivity comparable with graphene-based membranes for hydrogen over various gas molecules (N2, CO, CO2, CH4, and H2O). The divacancy defects in silicene are chemically inert to the considered gas molecules. Our results suggest that the porous silicene membrane is expected to find great potential in gas separation and filtering applications.

Graphical abstract: Porous silicene as a hydrogen purification membrane

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Publication details

The article was received on 08 Jan 2013, accepted on 19 Feb 2013 and first published on 22 Feb 2013

Article type: Communication
DOI: 10.1039/C3CP00066D
Citation: Phys. Chem. Chem. Phys., 2013,15, 5753-5757
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    Porous silicene as a hydrogen purification membrane

    W. Hu, X. Wu, Z. Li and J. Yang, Phys. Chem. Chem. Phys., 2013, 15, 5753
    DOI: 10.1039/C3CP00066D

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