CO₂abatement using two-dimensional MXene carbides

Abstract

Density functional simulations of CO₂adsorption an desorption rates as a function of CO₂pressure and temperature reveal that two-dimensional MXene materials of M₂C formula (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) are able to adsorb, store, and activate CO₂molecules, with promising applications in carbon capture and storage strategies.