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First-principles study of defect chemistry and thermoelectric performance of CaMg2Sb2

The success of high-performance n-type Mg3Sb2 has sparked interest in n-type thermoelectric transport of other AM2X2 compounds. However, only a few such compounds have realized n-type transport so far, and their zT values remain low. Therefore, there is an urgent need to systematically understand th...

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Autori principali: Shuai Zhang, Yuan Liu, Wenjing Qiu, Juan Li, Qidong Wang, Kai Han, Xiaole Qiu, Bing Sun
Natura: Artigo
Lingua:Inglês
Pubblicazione: The Royal Society of Chemistry 2026-07-01
Serie:RSC Advances
Accesso online:https://pubs.rsc.org/ra/article-pdf/16/34/32632/13350211/d6ra03855g.pdf
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