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http://hdl.handle.net/2445/170413| 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 Biogas 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: https://doi.org/10.1039/d0ta04522e |
| It is part of: | Journal of Materials Chemistry A, 2020, vol. 8, num. 25, p. 12296-12300 |
| URI: | http://hdl.handle.net/2445/170413 |
| Related resource: | https://doi.org/10.1039/d0ta04522e |
| ISSN: | 2050-7488 |
| Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 701670.pdf | 3.06 MB | Adobe PDF | View/Open |
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