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- W2953674887 abstract "Porous boron nitride (BN) membranes PBN-BH, PBN-BNH, and PBN-NH were designed as promising membranes for purifying He from natural gas by using density functional theory. The three BN membranes were precisely regulated to form suitable pore sizes with high stability for He separation. The PBN-BH membrane exhibited ultrahigh selectivities of He over Ne, Ar, N2, CO2, and CH4, which were approximately 106–1066 times larger than those of the two other structures. Among the three membranes, PBN-BH exhibited the highest He selectivity over CH4 of 5 × 1079 at 300 K, far better than previously reported findings. With the shortened B–H bond, PBN-NH presented unexceptionable He permeances of >0.23 mol m–2 s–1 Pa–1 at 300 K. The most stable adsorption configurations and their corresponding adsorption energies confirmed that weak van der Waals interactions dominated between the gases and the porous BN membranes. The minimum energy pathways, energy profiles, and electron density isosurfaces were analyzed to elucidate the significant impact of precise pore size on the selectivities of He over other gases and permeances passing through porous BN membranes." @default.
- W2953674887 created "2019-07-12" @default.
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- W2953674887 date "2019-06-25" @default.
- W2953674887 modified "2023-10-16" @default.
- W2953674887 title "Nanoporous Boron Nitride Membranes for Helium Separation" @default.
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- W2953674887 doi "https://doi.org/10.1021/acsanm.9b00862" @default.
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