作者
Shidong Wang, Zhao Wang, Wahyu Setyawan, Natalio Mingo, Stefano Curtarolo
发表日期
2011/10/1
期刊
Physical Review X
卷号
1
期号
2
页码范围
021012
出版商
American Physical Society
简介
Several thousand compounds from the Inorganic Crystal Structure Database have been considered as nanograined, sintered-powder thermoelectrics with the high-throughput ab-initio AFLOW framework. <?format ?>Regression analysis unveils that the power factor is positively correlated with both the electronic band gap and the carrier effective mass, and that the probability of having large thermoelectric power factors increases with the increasing number of atoms per primitive cell. Avenues for further investigation are revealed by this work. These avenues include the role of experimental and theoretical databases in the development of novel materials.
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