Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane

Abstract Isotopes separation through quantum sieving effect of membranes is quite promising for industrial applications. For the light hydrogen isotopologues (eg. H2, D2), the confinement of potential wells in porous membranes to isotopologues was commonly regarded to be crucial for highly efficient...

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Autores principales:	Yuanyuan Qu, Feng Li, Mingwen Zhao
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/e6186845d74a4c75acdacf3d545dfe94
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spelling	oai:doaj.org-article:e6186845d74a4c75acdacf3d545dfe942021-12-02T11:41:00ZEfficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane10.1038/s41598-017-01488-82045-2322https://doaj.org/article/e6186845d74a4c75acdacf3d545dfe942017-05-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01488-8https://doaj.org/toc/2045-2322Abstract Isotopes separation through quantum sieving effect of membranes is quite promising for industrial applications. For the light hydrogen isotopologues (eg. H2, D2), the confinement of potential wells in porous membranes to isotopologues was commonly regarded to be crucial for highly efficient separation ability. Here, we demonstrate from first-principles that a potential barrier is also favorable for efficient hydrogen isotopologues separation. Taking an already-synthesized two-dimensional carbon nitride (C2N-h2D) as an example, we predict that the competition between quantum tunneling and zero-point-energy (ZPE) effects regulated by the tensile strain leads to high selectivity and permeance. Both kinetic quantum sieving and equilibrium quantum sieving effects are considered. The quantum effects revealed in this work offer a prospective strategy for highly efficient hydrogen isotopologues separation.Yuanyuan QuFeng LiMingwen ZhaoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Yuanyuan Qu Feng Li Mingwen Zhao Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
description	Abstract Isotopes separation through quantum sieving effect of membranes is quite promising for industrial applications. For the light hydrogen isotopologues (eg. H2, D2), the confinement of potential wells in porous membranes to isotopologues was commonly regarded to be crucial for highly efficient separation ability. Here, we demonstrate from first-principles that a potential barrier is also favorable for efficient hydrogen isotopologues separation. Taking an already-synthesized two-dimensional carbon nitride (C2N-h2D) as an example, we predict that the competition between quantum tunneling and zero-point-energy (ZPE) effects regulated by the tensile strain leads to high selectivity and permeance. Both kinetic quantum sieving and equilibrium quantum sieving effects are considered. The quantum effects revealed in this work offer a prospective strategy for highly efficient hydrogen isotopologues separation.
format	article
author	Yuanyuan Qu Feng Li Mingwen Zhao
author_facet	Yuanyuan Qu Feng Li Mingwen Zhao
author_sort	Yuanyuan Qu
title	Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
title_short	Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
title_full	Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
title_fullStr	Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
title_full_unstemmed	Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
title_sort	efficient hydrogen isotopologues separation through a tunable potential barrier: the case of a c2n membrane
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/e6186845d74a4c75acdacf3d545dfe94
work_keys_str_mv	AT yuanyuanqu efficienthydrogenisotopologuesseparationthroughatunablepotentialbarrierthecaseofac2nmembrane AT fengli efficienthydrogenisotopologuesseparationthroughatunablepotentialbarrierthecaseofac2nmembrane AT mingwenzhao efficienthydrogenisotopologuesseparationthroughatunablepotentialbarrierthecaseofac2nmembrane
_version_	1718395492889526272

Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane

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