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transition-metal-dichalcogenides

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Pantha-Sarker / Nanogenerator

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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
  • Updated Sep 29, 2020
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