Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Keyphrases

• Adsorption 100%
• Gold(111) 100%
• Neutral Radical 100%
• Thiophenol 100%
• Deprotonated 66%
• Thiols 66%
• Interaction Energy 66%
• Thiophenolate 66%
• Computational Chemistry 33%
• Chemistry Method 33%
• Thiolate 33%
• Interaction Strength 33%
• Enhanced Conductivity 33%
• Interface Interaction 33%
• Au Atoms 33%
• Au(111) Surface 33%
• Binding Strength 33%
• Alkanethiol 33%
• Energy Range 33%
• Sulfur 33%
• Chemical Insights 33%
• Bond Strength 33%
• Molecular Devices 33%
• Electron Donor 33%
• Aromatics 33%
• Charge-transfer Character 33%
• Aryl Thiols 33%

Chemistry

• Thiophenol 100%
• Thiol 66%
• Molecular Electronics 33%
• Aryl Thiol 33%
• Dissociation Energy 33%
• Alkanethiol 33%
• Computational Chemistry 33%
• Electron Donor 33%

Material Science

• Mechanical Strength 100%
• Catalysis 33%