Bader charge transfer analysis was done for examining the charge transfer between atoms (see Table ). C, S and O atoms of the MXenes gained electrons as indicated by the negative charge transfer. On the contrary, Ti lost shows that the Ti-Se bond length is considerably greater than the Ti-O bond length. This can be attributed to the higher charge transfer from Ti to O compared to that from Ti to Se, and also the lower atomic radius of O relative to that of Se. Thus, the Ti-O bonds are much stronger than the Ti-Se bonds due to the higher electronegativity of O compared to that of Se. In contrast Ti-S and Ti-C bond lengths, which are common to both materials, do not show much difference.