Fig. 1: Energy bands and crystal structures of Ti3C2 and Ti3C2TX.
From: 2D MXenes polar catalysts for multi-renewable energy harvesting applications
a–d Calculated energy bands and dipole moments of Ti3C2 and Ti3C2TX monolayers. e Top view of the monolayer Ti3C2TX crystal structure with the tensile deformation of the simplified TX-Ti hexagonal structure (upper) and Ti-C hexagonal structure (lower), causing the piezoelectricity. f Side view of the monolayer Ti3C2TX crystal structure and the simplified model of the crystal structure deformation during a tensile process in the x-z plane of TX-Ti (upper) and Ti-C (lower) bonds, causing the piezoelectricity.
