First principles study of the structure and chemistry of Mg-based hydrotalcite-like anionic clays

Chemistry

• First Principle 100%
• Chemistry 100%
• Cation 100%
• Electronic Property 100%
• Structure 50%
• Electronic State 50%
• Molecular Dynamics 50%
• HOMO/LUMO Gap 50%
• Energetics 50%
• Lowest Unoccupied Molecular Orbital 50%
• Catalyst Property 50%

Keyphrases

• Mg-based Materials 100%
• Anionic Clay 100%
• Hydrotalcite 66%
• Energetic Stability 33%
• Small HOMO-LUMO Gap 33%
• Interlayer Anion 33%

Material Science

• Electronic Property 100%