Defect processes in Li₂ZrO₃: insights from atomistic modelling

Engineering & Materials Science

• Doping (additives) 100%
• Defects 61%
• Binding energy 56%
• Oxygen vacancies 55%
• Lithium 39%
• Density functional theory 26%
• Breeder reactors 23%
• Zirconium 22%
• Lithium-ion batteries 19%
• Anodes 17%
• Materials properties 15%

Physics & Astronomy

• lithium 79%
• binding energy 50%
• defects 49%
• zirconates 40%
• oxygen 36%
• nuclear reactors 33%
• electric batteries 30%
• anodes 25%
• density functional theory 23%
• ions 13%
• energy 8%

Chemistry

• Doping Material 78%
• Binding Energy 52%
• Dioxygen 29%
• Anode 21%
• Application 18%
• Density Functional Theory 18%
• Energy 14%