Exploring a novel class of Janus MXenes by first principles calculations: structural, electronic and magnetic properties of Sc 2 CXT, X = O, F, OH; T = C, S, N

DFT investigation of the structural, electronic and magnetic properties of the Janus MXene MXT (M: Sc 2 C, X: O, F, OH, T: C, N, S) family, revealing transition to a semiconductor character and half-metallicity for some selected functionalizations.