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CO2 Abatement Using Two-Dimensional MXene Carbides

Á. Morales-García, A. Fernández-Fernández, F. Viñes, F. Illas.
J. Mater. Chem. A., 6 (2018) 3381.

Activation and capture of CO2 on MXene carbides.

The ever-growing concentration of carbon dioxide (CO2) in the atmosphere is one of the major responsible of the greenhouse effect, global warming, and ocean acidification. MXene materials emerge as promising candidates for CO2 chemical anchoring framed within carbon capture and storage (CCS) derived strategies. By means of density functional theory investigations, it has been shown the strong CO2 uptake and activation on carbide MXene with M2C stoichiometry (M= Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W), where estimates of adsorption and desorption rates indicate their CO2 adsorption capacity even at low CO2 partial pressures and high temperatures. M2C materials feature noteworthy CO2 load capacities ranging 2.34-8.25 mol CO2/kg., making MXenes practical materials for CO2 abatement.