Outline
DOI: 10.1039/d6se00924g ISSN: 2398-4902
Fluoride and oxyfluoride thermoelectrics discovered by explainable machine learning and first-principles validation
Sathish Panneer Selvam, Shanmugasundaram Kamalakannan, K. C. Bhamu, Yufei Zhao, Yanfang Wu, Sung Gu Kang, Sungbo ChoExplainable machine learning and first-principles calculations identify stable fluoride and oxyfluoride thermoelectrics with ultralow lattice thermal conductivity and predicted ZT values up to 5.38 at 950 K.
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