Journal
ADVANCED MATERIALS
Volume 29, Issue 38, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adma.201702712
Keywords
entropy; high-throughput; thermoelectrics
Categories
Funding
- National Basic Research Program of China (973-program) [2013CB632501, 2017YFB0701600]
- National Natural Science Foundation of China (NSFC) [51625205, 51632005]
- Chinese Academy of Sciences [KGZD-EW-T06]
- Shanghai Government [15JC1400301, 16XD1403900, 16XD1401100]
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High-throughput explorations of novel thermoelectric materials based on the Materials Genome Initiative paradigm only focus on digging into the structure-property space using nonglobal indicators to design materials with tunable electrical and thermal transport properties. As the genomic units, following the biogene tradition, such indicators include localized crystal structural blocks in real space or band degeneracy at certain points in reciprocal space. However, this nonglobal approach does not consider how real materials differentiate from others. Here, this study successfully develops a strategy of using entropy as the global gene-like performance indicator that shows how multicomponent thermoelectric materials with high entropy can be designed via a high-throughput screening method. Optimizing entropy works as an effective guide to greatly improve the thermoelectric performance through either a significantly depressed lattice thermal conductivity down to its theoretical minimum value and/or via enhancing the crystal structure symmetry to yield large Seebeck coefficients. The entropy engineering using multicomponent crystal structures or other possible techniques provides a new avenue for an improvement of the thermoelectric performance beyond the current methods and approaches.
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