Computational prediction of nanostructured alloys with enhanced thermoelectric properties

Keyphrases

• Thermoelectric Materials 100%
• Computational Prediction 100%
• Enhanced Thermoelectric Properties 100%
• Nanostructured Alloys 100%
• High-throughput Calculations 50%
• Search Space 50%
• Five Elements 50%
• Materials Genome Initiative 25%
• High-throughput Methods 25%
• High-throughput Screening 25%
• Material System 25%
• Material Development 25%
• Material Properties 25%
• Materials Discovery 25%
• High Performance 25%
• Thermodynamics 25%
• Density Functional Theory 25%
• Theory-driven 25%
• Bulk Crystal 25%
• Binary Compounds 25%
• Thermoelectric 25%
• Experimental Verification 25%
• Nanostructured Thermoelectrics 25%
• Alloying System 25%
• Multicomponent Alloys 25%
• Sorting System 25%
• Semiconductor Alloys 25%
• Material Descriptors 25%
• Cocrystal Screening 25%
• Thermoelectric Material Performance 25%

Chemistry

• Thermoelectricity 100%
• Thermoelectric Materials 100%
• Volume 33%
• Density Functional Theory 16%
• High Throughput Screening 16%

Material Science

• Thermoelectrics 100%
• Thermoelectric Materials 100%
• Materials Property 16%
• Alloy Semiconductor 16%
• Density 16%