Benzotriazole adsorption on Cu ₂O(111) surfaces: A first-principles study

Engineering & Materials Science

• Adsorption 80%
• Stretching 35%
• Atoms 34%
• Copper 26%
• Vibrational spectra 26%
• Density functional theory 24%
• Chemical bonds 24%
• Hydrogen bonds 22%
• Benzene 20%
• Protons 19%
• Torsional stress 16%
• Molecules 16%
• Nitrogen 15%
• Oxygen 13%

Chemical Compounds

• Benzotriazole 100%
• Adsorption 40%
• Surface 26%
• Copper Atom 19%
• Torsion 16%
• Chemical Bond 16%
• Vibrational Frequency 16%
• Benzene Ring 15%
• Oxygen Atom 13%
• Proton 10%
• Density Functional Theory 10%
• Hydrogen Bond 10%
• Nitrogen 9%
• Molecule 5%

Physics & Astronomy

• adsorption 63%
• copper 23%
• nitrogen atoms 19%
• chemical bonds 18%
• hydrogen bonds 17%
• oxygen atoms 17%
• benzene 16%
• torsion 16%
• density functional theory 12%
• rings 11%
• vibration 10%
• protons 10%
• estimates 9%
• molecules 8%
• interactions 6%