Strong anharmonicity and medium-temperature thermoelectric efficiency in antiperovskites Ca3XN (X = P, As, Sb, Bi) compounds
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DOI: 10.1039/d4ta02118e
Abstract: In this work, we employ density functional theory (DFT) calculations to systematically investigate the thermal and electronic transport properties, as well as the thermoelectric performance, of antiperovskite (APV) compounds within... read more here.
Keywords: efficiency antiperovskites; thermoelectric efficiency; strong anharmonicity; temperature thermoelectric ... See more keywords
Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates
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DOI: 10.1103/s9z1-htzl
Abstract: Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and subsequent promise for thermoelectric applications, yet the mechanisms underlying these properties are not well understood. Here, we extend the framework of… read more here.
Keywords: strong anharmonicity; thermal conductivities; anharmonicity dictates; ultralow thermal ... See more keywords