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.
density-functional-theory
quantum-espresso
first-principles-calculations
transition-metal-dichalcogenides
nanogenerators
2d-bilayers
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Updated
Sep 29, 2020 - Shell