A density functional theory study of the chemical surface modification of β-SiC nanopores

Engineering & Materials Science

• Density functional theory 100%
• Nanopores 99%
• Surface treatment 70%
• Atoms 69%
• Silicon 52%
• Energy gap 45%
• Passivation 32%
• Oxygen 21%
• Hydrogen 21%
• Porous silicon 19%
• Oxygenation 19%
• Band structure 18%
• Surface chemistry 17%
• Silicon carbide 14%
• Carbon 10%

Chemistry

• Surface Modification 57%
• Band Gap 50%
• Hydrogen Atom 39%
• Porosity 38%
• Pore 29%
• Silicon Carbide 24%
• Oxygenation 24%
• Density of State 23%
• Electronic Band Structure 22%
• Surface Chemistry 20%
• Cubic Space Group 18%
• Oxygen Atom 17%
• Surface 14%
• Density Functional Theory 13%
• Dioxygen 10%
• Carbon Atom 10%

Physics & Astronomy

• density functional theory 51%
• silicon 35%
• hydrogen atoms 25%
• passivity 24%
• atoms 20%
• porosity 19%
• oxygenation 17%
• porous silicon 14%
• electronics 13%
• oxygen atoms 13%
• silicon carbides 12%
• tendencies 11%
• chemistry 11%
• carbon 8%
• oxygen 8%
• configurations 7%