Theoretical Determination of Band Edge Alignments at the Water-CuInS₂(112) Semiconductor Interface

Engineering & Materials Science

• Semiconductor materials 100%
• Conduction bands 82%
• Electrolytes 62%
• Vacuum 28%
• Density functional theory 24%
• Surface waters 22%
• Surface structure 19%
• Green's function 18%
• Electrons 16%
• Molecules 15%
• Electrodes 12%

Physics & Astronomy

• alignment 87%
• water 64%
• electrolytes 46%
• dipoles 41%
• conduction bands 36%
• vacuum 17%
• surface water 16%
• Green's functions 11%
• methodology 11%
• density functional theory 10%
• electrodes 8%
• molecules 7%
• electrons 5%
• interactions 5%

Chemical Compounds

• Semiconductor 85%
• Conduction Band 52%
• Dipole 48%
• Surface 36%
• Vacuum 25%
• Tight Binding Model 21%
• Work Function 18%
• Surface Water 17%
• Surface Structure 15%
• Density Functional Theory 10%
• Electron Particle 8%
• Behavior as Electrode 8%
• Solvent 7%
• Reduction 7%
• Molecule 5%