Organic/metal interfaces in self-assembled monolayers of conjugated thiols: A first-principles benchmark study

Keyphrases

• Au(111) 50%
• Charge Fluctuation 50%
• Charge Transfer 50%
• Energetic Alignment 50%
• Fermi Level 50%
• First-principles 100%
• Frontier Molecular Orbitals 50%
• Interfacial Phenomena 100%
• Interfacial Processes 50%
• Organic Electronic Devices 50%
• Organic-metal Interface 100%
• Self-assembled Monolayer 100%
• Single-molecule Electronics 50%
• Thiols 100%
• Work Function 50%
• Working Principle 50%

Physics

• Electrostatics 100%
• Energetics 100%
• First-Principles 100%
• Metal Interface 100%

Material Science

• Metal Interface 100%
• Self Assembled Monolayer 100%