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    Atomistic explanation of brittle failure of thermoelectric skutterudite cosb3 

    Li, Guodong; An, Qi; Goddard III, William A.; Hanus, Riley; Zhai, Pengcheng; Zhang, Qingjie; Snyder, G. Jeffrey (American Chemical Society, 2016)
    Skutterudites based on CoSb3 have high thermoelectric efficiency, but the low fracture strength is a serious consideration for commercial applications. To understand the origin of the brittleness in CoSb3, we examine the ...