Piezoelectric materials have drawn significant attention from researchers in the recent past as the piezo-potential induced by applied external stress generates an electric field, which paves the way for the creation and transfer of electrons and holes. After the theoretical prediction of the existence of the piezoelectric effect in Transition Metal Dichalcogenides (TMDCs) semiconductors, intense research efforts have been made by various researchers to demonstrate the effect experimentally. In addition 2D TMDCs exhibit layer-dependent tunable electronic structure, strongly bound excitons, enhanced catalytic activity at their edges, and novel spin/pseudospin degrees of freedom. The edge sites and activated basal planes of 2D TMDCs are shown to be highly active toward catalysis of the hydrogen evolution reaction (HER). However, as compared to electrocatalytic or even photocatalytic performances, TMDC materials exhibit poorer piezocatalytic activity, in general. Therefore, a numbers of research strategies have been made to intensify the piezoelectric effect by synthesizing different types of TMDC nanostructures, by coupling the piezoelectric effect with the photocatalytic effect, by doping with other materials, etc. This review discusses various techniques of synthesis of TMDCs nanostructures and the recent progresses in applications of TMDC nanomaterials in piezocatalysis. In the present article, the piezocatalytic dye degradation performances and HER activity using different TMDCs have been reviewed in detail. Different methods of increasing the piezocatalytic activity of various TMDCs nanostructures have been illustrated. Here, it has also been attempted to systematically summarize and provide an outlook of the charge transfer behaviour and catalytic mechanisms in large varieties of TMDC piezocatalysts and piezo-photocatalysts. In addition, advanced applications of TMDC piezocatalytic materials as piezoelectric nanogenerator (PENG), piezocatalytic dye degradation, piezo−phototronic dye degradation and HER studies have been highlighted.