Fig. 1: Energy bands and crystal structures of Ti3C2 and Ti3C2TX. | Nature Communications

Fig. 1: Energy bands and crystal structures of Ti3C2 and Ti3C2TX.

From: 2D MXenes polar catalysts for multi-renewable energy harvesting applications

Fig. 1: Energy bands and crystal structures of Ti3C2 and Ti3C2TX.The alternative text for this image may have been generated using AI.

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.

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