Electronic and Thermal Properties of Monolayer MoS₂: A First-Principles Study

Keyphrases

• Electronic Properties 100%
• Monolayer MoS2 100%
• First-principles Study 100%
• Thermal Properties 100%
• Transport Properties 66%
• Temperature Effect 66%
• Free Energy 66%
• Law 33%
• Room Temperature 33%
• Low Temperature 33%
• Molybdenite 33%
• Density Functional Theory 33%
• Band Gap 33%
• Banded Structure 33%
• Specific Heat 33%
• K-points 33%
• First-principles Calculations 33%
• Direct Band Gap 33%
• Temperature Rise 33%
• Electronic Structure Calculations 33%
• Pseudopotential Method 33%
• Thermal Response 33%
• Bulk MoS2 33%
• Quasi-harmonic Approximation 33%
• 3D Nanoparticles 33%
• Quantum Espresso 33%
• Plane Wave Pseudopotential 33%
• 2D Monolayer 33%
• Projector Augmented Wave Method 33%

Physics

• First-Principles 100%
• Thermodynamic Properties 100%
• Transport Property 100%
• Free Energy 100%
• Plane Wave 50%
• Nanoparticle 50%
• Room Temperature 50%
• Harmonics 50%
• Density Functional Theory 50%
• Electronic Structure 50%
• Specific Heat 50%
• First Principle 50%
• Pseudopotential 50%

Material Science

• Monolayers 100%
• Electronic Property 100%
• Thermal Property 100%
• Density 25%
• Electronic Band Structure 25%
• Electronic Structure Calculation 25%
• Nanoparticle 25%