DFT Analysis on the Separation Mechanism of Hydrogen Isotopes Through Graphene and Boron Nitride 2D Sheets
Chenyu Gao,
Li-Juan Yang,
Lanxin Li
et al.
Abstract:As an existing method, proton-overdeuteron (H +over-D + ) can permeate through graphene by chemical pumping with a high selectivity quantum sieving effect at room temperature. The value from the controversially discussed mechanistic model of the penetration process by the chemisorption of local hydrogenation in the elementary unit of two-dimensional monolayer membrane has been a deviation from the obtained experimental separation coefficient of 10. Quantum sieving kinetic isotope effects must be reconsidered i… Show more
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