Tuning electronic structures of ZnO nanowires by surface functionalization: A first-principles study

Keyphrases

• First-principles Study 100%
• Surface Functionalization 100%
• ZnO Nanowires 100%
• Tunable Electronic Structures 100%
• Passivation 80%
• Band Gap 40%
• NH 3 40%
• Size Effect 20%
• Surface Chemistry 20%
• Electronic Structure 20%
• Electronic Properties 20%
• First-principles Calculations 20%
• Quantum Confinement 20%
• Surface Coverage 20%
• Banded Structure 20%
• Surface Passivation 20%

Material Science

• Nanowires 100%
• ZnO 100%
• Surface Functionalization 100%
• Surface (Surface Science) 60%
• Electronic Property 20%
• Surface Passivation 20%