Structure and Stability of TiO₂-B Surfaces: A Density Functional Study

Engineering & Materials Science

• Density functional theory 60%
• Interfacial energy 100%
• Ions 74%
• Polymorphism 50%
• Relaxation 37%
• Titanium dioxide 52%

Physics & Astronomy

• anatase 43%
• approximation 21%
• density functional theory 31%
• gradients 26%
• ions 37%
• surface energy 77%

Chemical Compounds

• Density Functional Theory 50%
• Interfacial Energy 79%
• Ion 31%
• Shape 26%
• Surface 25%