Ultra-highly selective biogas upgrading through porous MXenes
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 sho...
| Autores: | , , , |
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| Formato: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2020 |
| País: | España |
| Recursos: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:2445/170413 |
| Acesso em linha: | https://hdl.handle.net/2445/170413 |
| Access Level: | acceso abierto |
| Palavra-chave: | Biogàs Diòxid de carboni Teoria del funcional de densitat Biogas Carbon dioxide Density functionals |
| Resumo: | 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. |
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