First-principles study of the adsorption of carboxylic acid on cu(111)

Keyphrases

• Formic Acid 100%
• Acetic Acid 100%
• Carboxylic Acids 100%
• Adsorption 100%
• Adsorption Energy 100%
• First-principles Study 100%
• Cu(111) 100%
• Geometric Structure 50%
• Structure-property Relationships 50%
• Propionic Acid 50%
• Van Der Waals Interaction 50%
• Electronic Properties 50%
• Stable Structure 50%
• Structure Optimization 50%
• Van Der Waals 50%
• Cu(111) Surface 50%
• Periodic Density Functional Theory Calculations 50%
• Copper Surface 50%
• VdW-DF 50%
• Organic Carboxylic Acids 50%
• Molecular Adsorption 50%

Material Science

• Surface (Surface Science) 100%
• Density 50%
• Electronic Property 50%
• Molecular Adsorption 50%
• Adsorption of Organics 50%