Ultra-high selectivity biogas upgrading through porous MXenes

Abstract

Two-dimensional porous MXenes with the formula M₂C (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 under the most adverse working conditions.