Study of the defect chemistry in Ag2Q (Q = S, Se, Te) by first-principles calculations
Hexige Wuliji, Kunpeng Zhao, Xiaomeng Cai, Huirong Jing, Yaowei Wang, Haoran Huang, Tian‐Ran Wei, Hong Zhu, Xun Shi
Topics & Concepts
Materials scienceSemiconductorConduction bandBand gapDensity functional theoryDuctility (Earth science)ChalcogenThermoelectric materialsThermal conductionThermoelectric effectElectronChemical physicsCondensed matter physicsCrystallographyThermodynamicsComputational chemistryChemistryOptoelectronicsPhysicsMetallurgyQuantum mechanicsCreepComposite materialAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And Properties