Impact of Aliovalent Alkaline-Earth metal solutes on Ceria Grain Boundaries: A density functional theory study

Engineering & Materials Science

• Alkaline earth metals 100%
• Density functional theory 89%
• Cerium oxide 76%
• Grain boundaries 60%
• Electronic properties 16%
• Positive ions 13%
• Electronic density of states 10%
• Ion exchange 7%
• Defects 7%
• Energy gap 6%
• Doping (additives) 6%
• Anchors 5%
• Thermodynamic properties 5%
• Ions 5%
• Stabilization 4%

Chemical Compounds

• Grain Boundary 62%
• Alkaline Earth Metal 60%
• Solute 49%
• Electronic Property 9%
• Simulation 6%
• Cation 6%
• Density of State 5%
• Polycrystalline Solid 4%
• Thermodynamic Property 4%
• Compound Mobility 4%
• Band Gap 4%
• Strain 3%
• Density Functional Theory 3%
• Chemistry 3%
• Energy 2%
• Application 1%