Understanding Phonon Properties in Metal-Organic Frameworks From First Principles

Chemistry

• Phonon 100%
• First Principle 100%
• Metal Organic Framework 100%
• Density Functional Theory 12%
• Structure 12%
• Charge Density 12%
• Electronic Band Structure 12%
• Thermal Conductivity 12%
• Quasiparticle 12%
• Thermal Expansion 12%
• Atomistic Simulation 12%
• Surface Area 12%

Physics

• Phonon 100%
• First-Principles 100%
• Metal Organic Framework 100%
• Harmonics 12%
• Density Functional Theory 12%
• Elasticity 12%
• Elementary Excitation 12%
• Lattice Vibration 12%
• Thermal Conductivity 12%
• Thermal Expansion 12%
• Frequency Shift 12%

Material Science

• Metal-Organic Framework 100%
• Density 28%
• Materials Property 14%
• Mechanical Property 14%
• Catalysis 14%
• Thermal Conductivity 14%
• Thermal Expansion 14%
• Lattice Vibration 14%
• Elastic Constant 14%