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“Separation of 3He/4He isotopes by Nanoporous Graphene”

M. Bartolomei, M. I. Hernández, C. Moreno, A. Mugarza, J . Campos-Martínez.

Graphene layers with carefully tailored nanopores[1] could be useful tools as filters at the molecular
level. Not only molecules of different size could be sieved but it might be also possible to use this 2D
materials as appropriate filters for isotopic separation. We present first results on separation of 3He/4He
on the nanoporous graphene (NPG) structure proposed in Ref.[1]. Thermal rates coefficients or
permeances as well as selectivity ratios are obtained through rigorous 3D wave packet calculations[2]
and intermolecular potentials[3] based on high-level ab-initio calculations that are fit to an adequate
analytical formula. Results show that this type of material can be competitive and in many senses
much more appropriate than other typical 2D material proposed for these purposes[4].


References:
[1] Moreno, C.; Vilas-Varela, M.; Kretz, B.; García-Lekue, A.; Costache, M. V.; Paradinas, M.; Panighel, M.;
Ceballos, G.; Valenzuela, S. O.; Peña, D.; Mugarza A. Science (2018), 360, 199–203.
[2] Gijón, A.; Campos-Martínez, J.; Hernández, M. I. The Journal of Physical Chemistry C (2017), 121, 19751–19757.
[3] a) Bartolomei, M.; Carmona-Novillo, E.; Hernández, M. I.; Campos-Martínez, J.; Pirani, F.; Giorgi, G.;
Yamashita, K. J. Phys. Chem. Lett. (2014), 5, 751–755. b) Bartolomei, M.; Carmona-Novillo, E.; Hernández, M. I.; Campos-Martínez, J.; Pirani, F.; Giorgi, G. J. Phys. Chem. C (2014), 118, 29966–29972.
[4] Hernández, M. I.; Bartolomei, M.; Campos-Martínez, J . Phys. Chem. A (2015), 119, 10743–10749,

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