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Ab initio study of two-dimensional MgAl2Se4 and MgIn2Se4 with high stability, high electron mobility, and high thermoelectric figure of merit

Wenyu Fang, Kuan Kuang, Xinglin Xiao, Haoran Wei, Yue Chen, Mingkai Li, Yunbin He

2022Journal of Alloys and Compounds47 citationsDOI

Topics & Concepts

Thermoelectric effectPhonon scatteringCondensed matter physicsMaterials scienceSeebeck coefficientThermoelectric materialsFigure of meritElectron mobilitySemiconductorPhononAnharmonicityThermal conductivityScatteringAb initioBand gapThermal stabilityNanoelectronicsAb initio quantum chemistry methodsChemistryOptoelectronicsNanotechnologyPhysicsThermodynamicsOpticsComposite materialMoleculeOrganic chemistry2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials
Ab initio study of two-dimensional MgAl2Se4 and MgIn2Se4 with high stability, high electron mobility, and high thermoelectric figure of merit | Litcius