First-Principles Investigation of Surface pK_a and the Behavior of Acids at Aqueous-Metal Interfaces

Keyphrases

• First-principles Investigation 100%
• Metal Interfaces 100%
• Surface pKa 100%
• Computational Methods 50%
• Order of Magnitude 50%
• PK a 50%
• Accurate Determination 50%
• Surface Coverage 50%
• Homogeneous Solution 50%
• Adsorption Energy 50%
• Coverage Rate 50%
• Energy Value 50%
• Ag-Au 50%
• Strong Acid 50%
• Solvation Free Energy 50%
• Organic Acids 50%
• Ag-Pt 50%
• Heterogeneous Catalysis 50%
• Inorganic Acid 50%
• Weak Acid 50%
• Solvent Medium 50%
• Aqueous Interfaces 50%
• Proton Solvation 50%
• (111) Surfaces 50%
• Deprotonated Form 50%

Chemistry

• First Principle 100%
• pKa 100%
• Metal Interface 100%
• Electrochemistry 50%
• Solvation 50%
• Calorific Value 50%
• Adsorption Energy 50%
• Heterogeneous Catalysis 50%
• Free Energy 50%
• Platinum 50%