First-principles molecular dynamics study of the structure and dynamic behavior of liquid Li₄ BN₃ H₁₀

Keyphrases

• Dynamic Behavior 100%
• Structure Behavior 100%
• Molecular Dynamics Study 100%
• Li + 100%
• First-principles Molecular Dynamics 100%
• Anions 66%
• BH 4 66%
• Sublattice 66%
• Solid State 33%
• Density Functional Theory 33%
• Ammonia 33%
• Amides 33%
• Ab Initio Molecular Dynamics 33%
• Vibrational Spectra 33%
• Activation Energy 33%
• Liquid State 33%
• Vibrational Modes 33%
• Increased Temperature 33%
• Pre-exponential Factor 33%
• Ionic Interaction 33%
• Vibration Mode 33%
• Ion Diffusivity 33%
• Li-ion Diffusion 33%
• Rotation Mode 33%
• Solid-state Calculations 33%
• Generic Types 33%
• Experimental Melting 33%
• Liquid Diffusivity 33%
• Imide Anion 33%
• Bond Angle Distribution 33%

Chemistry

• First Principle 100%
• Molecular Dynamics Study 100%
• Diffusivity 100%
• Melting Point 50%
• Density Functional Theory 50%
• Reaction Activation Energy 50%
• Structure of the Liquid 50%
• Carboxamide 50%
• Imide Anion 50%
• Molecular Dynamics 50%
• Ammonia 50%
• Bond Angle 50%
• Hydrogen 50%
• Vibrational Spectra 50%

Material Science

• Diffusivity 100%
• Density 50%
• Activation Energy 50%