A photoactive titanate with a stereochemically active Sn lone pair: Electronic and crystal structure of Sn ₂TiO ₄ from computational chemistry

Engineering & Materials Science

• Computational chemistry 94%
• Electronic structure 90%
• Crystal structure 78%
• Positive ions 76%
• Energy gap 69%
• Valence bands 55%
• Oxides 52%
• Binding energy 48%
• Photocatalysis 48%
• Density functional theory 45%
• Negative ions 41%
• Solid solutions 34%
• Titanium 29%
• Nitrogen 28%
• Metals 19%

Physics & Astronomy

• computational chemistry 100%
• titanates 71%
• crystal structure 48%
• electronic structure 45%
• cations 34%
• oxynitrides 24%
• metal oxides 19%
• anions 19%
• binding energy 17%
• titanium 16%
• solid solutions 16%
• density functional theory 15%
• nitrogen 14%
• valence 14%
• conduction 13%
• oxides 12%
• electronics 10%

Chemical Compounds

• Computational Chemistry 75%
• Band Gap 46%
• Electronic State 45%
• Cation 35%
• Modification 34%
• Valence Band 33%
• Crystal Structure 30%
• Photocatalysis 29%
• Binding Energy 26%
• Solid Solution 25%
• Metal Oxide 25%
• Density Functional Theory 19%
• Nitrogen 18%
• Anion 17%
• Oxide 16%