Metal-to-Semiconductor Transition in Two-Dimensional Metal-Organic Frameworks: An Ab Initio Dynamics Perspective

Keyphrases

• Semiconductor-metal Transition 100%
• Dynamic Perspective 100%
• Two-dimensional Metal-organic Framework 100%
• Ab Initio Dynamics 100%
• Ni3(HITP)2 75%
• Semiconductors 50%
• Intralayer 50%
• Structural Features 25%
• Two Dimensional 25%
• Metal-organic Frameworks (MOFs) 25%
• Ab Initio Molecular Dynamics Simulation 25%
• Banded Structure 25%
• External Stimuli 25%
• Electronic Properties 25%
• Layered Architecture 25%
• Structure Optimization 25%
• Structural Electronics 25%
• Structural Change 25%
• Slippery Liquid-Infused Porous Surfaces (SLIPS) 25%
• Electronic Band Structure Calculation 25%
• Layered Metals 25%
• Quantum Mechanical 25%
• Conductive Behavior 25%
• Projected Density of States 25%
• Charge Mobility 25%
• Conductivity Anisotropy 25%
• Structure Density 25%
• Interlayer Distance 25%
• Mechanical Tool 25%
• Electrically Conductive Materials 25%

Material Science

• Metal-Organic Framework 100%
• Density 20%
• Crystal Structure 20%
• Anisotropy 20%
• Electronic Property 20%
• Conductive Material 20%
• Electronic Band Structure 20%

Physics

• Metal Organic Framework 100%
• Anisotropy 20%
• Molecular Dynamics 20%
• Crystal Structure 20%
• Density of States 20%