Density-functional calculation of CeO ₂ surfaces and prediction of effects of oxygen partial pressure and temperature on stabilities

Physics & Astronomy

• partial pressure 80%
• functionals 78%
• oxygen 50%
• predictions 44%
• temperature 24%
• surface stability 20%
• defects 15%
• transition points 15%
• ultrahigh vacuum 13%
• surface energy 13%
• free energy 11%
• density functional theory 10%
• electronic structure 10%
• ground state 9%
• approximation 7%
• electrons 5%
• interactions 5%

Medicine & Life Sciences

• Partial Pressure 100%
• Temperature 60%
• Oxygen 60%
• Electrons 44%
• Vacuum 32%

Chemical Compounds

• Partial Pressure 79%
• Dioxygen 40%
• Surface 26%
• Density of State 25%
• Local-Density Approximation 17%
• Exchange Interaction 13%
• Interfacial Energy 11%
• Vacuum 9%
• Ground State 9%
• Gibbs Free Energy 9%
• Electronic State 8%
• Density Functional Theory 7%
• Electron Particle 6%