Structure and stability of iron oxide surfaces and their reactivity with water

Physics & Astronomy

• atoms 7%
• configurations 8%
• energy 4%
• entropy 11%
• examination 12%
• free energy 25%
• hematite 18%
• iron oxides 83%
• molecular dynamics 22%
• optimization 10%
• phonons 10%
• point defects 14%
• reactivity 76%
• simulation 5%
• water 43%
• zero point energy 39%

Engineering & Materials Science

• Atoms 15%
• Computer simulation 8%
• Entropy 12%
• Free energy 36%
• Hematite 22%
• Iron oxides 100%
• Molecular dynamics 34%
• Phonons 24%
• Point defects 23%
• Water 41%

Chemistry

• Crystal Point Defect 24%
• Entropy 15%
• Force 13%
• Gibbs Free Energy 14%
• Hematite 20%
• Iron Oxide 72%
• Molecular Dynamics 28%
• Simulation 12%
• Surface 24%
• Surface Free Energy 22%
• Zero Point Energy 51%