Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance
Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance
复制标题
发现具有高热电性能的 TaFeSb 基半高斯勒材料
DOI：
10.1038/s41467-018-08223-5
复制
发表时间：
2019-01
影响因子：
16.6
通讯作者：
Zhifeng Ren
中科院分区：
文献类型：
--
作者：
Hangtian Zhu;Jun Mao;Yuwei Li;Jifeng Sun;Yumei Wang;Qing Zhu;Guannan Li;Qichen Song;Jiawei Zhou;Yuhao Fu;Ran He;Tian Tong;Zihang Liu;Wuyang Ren;Li You;Zhiming Wang;Jun Luo;Andrei Sotnikov;Jiming Bao;Kornelius Nielsch;Gang Chen;David J. Singh;Zhifeng Ren
长期以来，通过爱迪生试验和误差方法实现了热电材料的发现。但是，理论计算的最新进展，包括预测未知阶段结构及其热力学stab的能力
Discovery of thermoelectric materials has long been realized by the Edisonian trial and error approach. However, recent progress in theoretical calculations, including the ability to predict structures of unknown phases along with their thermodynamic stability and functional properties, has enabled the so-called inverse design approach. Compared to the traditional materials discovery, the inverse design approach has the potential to substantially reduce the experimental efforts needed to identify promising compounds with target functionalities. By adopting this approach, here we have discovered several unreported half-Heusler compounds. Among them, the p-type TaFeSb-based half-Heusler demonstrates a record highZTof ~1.52 at 973 K. Additionally, an ultrahigh averageZTof ~0.93 between 300 and 973 K is achieved. Such an extraordinary thermoelectric performance is further verified by the heat-to-electricity conversion efficiency measurement and a high efficiency of ~11.4% is obtained. Our work demonstrates that the TaFeSb-based half-Heuslers are highly promising for thermoelectric power generation.
登录
查看更多内容
影响因子：
16.6
作者：
Zhou J;Zhu H;Liu TH;Song Q;He R;Mao J;Liu Z;Ren W;Liao B;Singh DJ;Ren Z;Chen G
通讯作者：
Chen G
CALYPSO：一种晶体结构预测方法
影响因子：
6.3
作者：
Wang, Yanchao;Lv, Jian;Ma, Yanming
通讯作者：
Ma, Yanming
影响因子：
3.7
作者：
Kresse, G;Furthmuller, J
通讯作者：
Furthmuller, J
影响因子：
--
作者：
Toberer, Eric S.;Zevalkink, Alex;Snyder, G. Jeffrey
通讯作者：
Snyder, G. Jeffrey
影响因子：
64.8
作者：
Zhao, Li-Dong;Lo, Shih-Han;Kanatzidis, Mercouri G.
通讯作者：
Kanatzidis, Mercouri G.