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
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