2026-04-18T04:07:14Zhttps://recercat.cat/oai/requestoai:recercat.cat:2445/1950392025-12-04T20:55:46Zcom_2072_1057col_2072_478796col_2072_478917
RECERCAT
author
Morales-Salvador, Raul
author
Gouveia, José D.
author
Morales García, Ángel
author
Viñes Solana, Francesc
author
Gomes, José R.B.
author
Illas i Riera, Francesc
2023-03-10T16:18:56Z2023-03-10T16:18:56Z2021-09-032023-03-10T16:18:56Z
Two-dimensional pristine M2X MXenes are proposed as highly active catalytic materials for carbon dioxide (CO2) greenhouse gas conversion into carbon monoxide (CO) on the basis of a multiscale modeling approach, coupling calculations carried out in the framework of density functional theory and newly developed kinetic phase diagrams. The extremely facile CO2 conversion into CO leaves the MXene surfaces partially covered by atomic oxygen, recovering its pristine nature by a posterior catalyst regeneration by hydrogen (H2) treatment at high temperatures, with MXenes effectively working as two-step catalysts for the reverse water-gas shift reaction.
cc-by (c) Morales-Salvador, Raul et al., 2021 http://creativecommons.org/licenses/by/3.0/es/ info:eu-repo/semantics/openAccess
Adsorció
Òxids
Diòxid de carboni
Adsorption
Oxides
Carbon dioxide
Carbon Capture and Usage by MXenes
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion