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Updated: Mar 3, 2026

Hydrogen Production and Utilization in a Membrane Reactor
Published on: March 10, 2023
Efficient hydrogen isotopologues separation through a tunable potential barrier: The case of a C2N membrane
Yuanyuan Qu1, Feng Li1,2, Mingwen Zhao3
1School of Physics, Shandong University, Jinan, 250100, Shandong, China.
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.
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