Modeling of semiconductor-electrolyte interfaces with tight-binding molecular dynamics

Keyphrases

• First-principles 100%
• Tight-binding Molecular Dynamics 100%
• Semiconductor-electrolyte Interface 100%
• Surface Structure 50%
• Electron Transfer 50%
• Number of Atoms 50%
• Computational Cost 50%
• Defected Ground Structure 50%
• Electrode-electrolyte Interface 50%
• Density Functional Tight Binding 50%
• Tight-binding Model 50%
• Bulk Oxides 50%
• Metal-oxide Interface 50%
• Atomic Dynamics 50%
• Ion Transfer 50%
• Electronic Dynamics 50%

Material Science

• Electron Transfer 100%
• Surface Structure 100%
• Oxide Compound 100%
• Metal-Oxide Interface 100%
• Crystal Defect 100%

Physics

• Molecular Dynamics 100%
• First Principle 100%
• Metal-Oxide Interface 50%
• Crystal Defect 50%