Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/195039
Title: | Carbon Capture and Usage by MXenes |
Author: | Morales-Salvador, Raul Gouveia, José D. Morales García, Ángel Viñes Solana, Francesc Gomes, José R.B. Illas i Riera, Francesc |
Keywords: | Adsorció Òxids Diòxid de carboni Adsorption Oxides Carbon dioxide |
Issue Date: | 3-Sep-2021 |
Publisher: | American Chemical Society |
Abstract: | 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. |
Note: | Reproducció del document publicat a: https://doi.org/10.1021/acscatal.1c02663 |
It is part of: | ACS Catalysis, 2021, vol. 11, num. 17, p. 11248-11255 |
URI: | http://hdl.handle.net/2445/195039 |
Related resource: | https://doi.org/10.1021/acscatal.1c02663 |
ISSN: | 2155-5435 |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
714491.pdf | 2.2 MB | Adobe PDF | View/Open |
This item is licensed under a Creative Commons License