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Title: Ultra-highly selective biogas upgrading through porous MXenes
Author: Prats Garcia, Hèctor
McAloone, Hannah
Viñes Solana, Francesc
Illas i Riera, Francesc
Keywords: Biogàs
Diòxid de carboni
Teoria del funcional de densitat
Carbon dioxide
Density functionals
Issue Date: 3-Jun-2020
Publisher: Royal Society of Chemistry
Abstract: Two-dimensional porous MXenes with M2C formula (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) are proposed as very promising sorbent materials for carbon dioxide (CO2), separation from methane (CH4) in the critical step of biogas upgrading. Density functional theory calculations including dispersion show that MXenes present very high CO2 uptakes and selectivities even in the most adverse working conditions.
Note: Versió postprint del document publicat a:
It is part of: Journal of Materials Chemistry A, 2020, vol. 8, num. 25, p. 12296-12300
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ISSN: 2050-7488
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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