This repository contains several ground state Density Functional Theory (DFT) calculations within the framework of Quantum Espresso of various bi-layers of 2D Transition Metal Dichalcogenides as their potential use as nano energy generators along with their electronic structures and structural stability calculations. The MoSTe-MoSeTe folder contains the codes about the potential use as nanogenerator of MoSTe-MoSeTe nanogenerators.