High-Throughput Screening for Advanced Thermoelectric Materials: Diamond-Like ABX2 Compounds.
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DOI: 10.1021/acsami.9b01196
Abstract: High-throughput (HTP) calculations are a highly promising direction for the discovery of novel functional materials. Here we use an HTP framework to investigate the electronic structures and p-type thermoelectric properties of the ABX2 compounds with… read more here.
Keywords: compounds high; pnictide compounds; diamond like; abx2 compounds ... See more keywords