Antibonding induced anharmonicity leading to ultralow lattice thermal conductivity and extraordinary thermoelectric performance in CsK2X (X = Sb, Bi)
| Autor: | Kunpeng Yuan, Xiaoliang Zhang, Zheng Chang, Dawei Tang, Ming Hu |
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| Rok vydání: | 2022 |
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| Zdroj: | Journal of Materials Chemistry C. 10:15822-15832 |
| ISSN: | 2050-7534 2050-7526 |
| Popis: | A first principles-based machine learning potential is developed to model the phonon transport properties in full Heusler CsK2Sb and CsK2Bi taking account of all higher-order phonon interactions. |
| Databáze: | OpenAIRE |
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