2020
DOI: 10.1021/acs.jpclett.0c01797
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Asymmetric Two-Layer Porous Membrane for Gas Separation

Abstract: We present that the porous two-layer membranes of graphene and hexagonal boron nitride (h-BN) are promising for gas mixture separation. For the two-layer membranes, the mechanisms of the gas separation are (i) the different adsorption properties of gases on two membranes inducing a permeation flux difference from one side to the other and (ii) the asymmetric potential energy curves (potential energy of a gas molecule vs distance between the pore center and a gas molecule) of a two-layer membrane leading to a p… Show more

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Cited by 17 publications
(10 citation statements)
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“…On the theory and simulation sides, the mechanism of gas permeation through nanometer-scale pores in NATMs has been investigated in depth. Novel design ideas of NATM pores that enhance gas separation have been proposed based on simulations, including edge functionalization, [196] asymmetrical pores, [104,107] and continuously tunable pore size by strain or by the overlapping of two pores. [101,119,133] Pore nucleation and pore expansion processes have also been gaining increasing attention.…”
Section: Discussionmentioning
confidence: 99%
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“…On the theory and simulation sides, the mechanism of gas permeation through nanometer-scale pores in NATMs has been investigated in depth. Novel design ideas of NATM pores that enhance gas separation have been proposed based on simulations, including edge functionalization, [196] asymmetrical pores, [104,107] and continuously tunable pore size by strain or by the overlapping of two pores. [101,119,133] Pore nucleation and pore expansion processes have also been gaining increasing attention.…”
Section: Discussionmentioning
confidence: 99%
“…[88,136] Multilayer membranes with overlapping pores in different layers can also be analyzed using the same framework as that used in the case of singlelayer NATMs. [122] For example, conical pores, [107] asymmetric pores, [104] and pores with tunable sizes [101,103] have all been simulated for gas separations.…”
Section: Simulationsmentioning
confidence: 99%
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“…Therefore, we adopt hBN and graphene hybrid sheets to form a two-dimensional membrane with stronger adsorption surface in one side and weaker adsorption surface in another side. In this study, we systematically study the quasi-unidirectional molecular transport characteristics through a graphene-hBN bilayer nanopore, following the asymmetric two-layer porous membranes proposed by Liu et al (Liu et al, 2020). We show that the quasi-unidirectional molecular transport is realized by inhibiting the molecular backflow from permeate-side to feed-side.…”
Section: Introductionmentioning
confidence: 92%
“…(1)(2)(3)(4)(5) In addition, the membranes which have numerous pores are extensively used to purify contaminated water, separate cathode and anode in battery and separate gas in distillation process. (6)(7)(8)(9)(10) Porous membrane can absorb or lter only pollutants out of wastewater, and it can leads to tremendous environmental virtue. Futhermore, in industrial elds, membrane process with porous materials is able to simplify complicate processes including cryogenic distillation, water puri cation and etc..…”
Section: Introductionmentioning
confidence: 99%