Thermodynamically stable lithium silicides and germanides from density functional theory calculations

Engineering & Materials Science

• Density functional theory 98%
• Silicides 89%
• Stoichiometry 88%
• Lithium 72%
• Ground state 65%
• Germanium 58%
• Crystal structure 56%
• Lithium-ion batteries 47%
• Anodes 42%
• Metastable phases 35%
• Silicon 34%
• Structural optimization 25%
• Electric potential 22%
• Throughput 15%

Physics & Astronomy

• germanides 99%
• silicides 68%
• stoichiometry 63%
• lithium 58%
• density functional theory 50%
• electric batteries 44%
• germanium 38%
• anodes 37%
• crystal structure 34%
• ground state 29%
• electric potential 23%
• silicon 23%
• complement 22%
• insertion 21%
• ions 20%
• optimization 14%

Chemistry

• Germanide 100%
• Reaction Stoichiometry 53%
• Density Functional Theory 40%
• Ground State 34%
• Anode 32%
• Voltage 31%
• Metastable Phase 28%
• Crystal Structure 21%