Y <sub>2</sub> Ti <sub>2</sub> O <sub>5</sub> S <sub>2</sub> – a promising n-type oxysulphide for thermoelectric applications
Katarina Brlec, Kieran B. Spooner, Jonathan M. Skelton, David O. Scanlon
Abstract
A hybrid-DFT study shows Y 2 Ti 2 O 5 S 2 is a promising earth-abundant thermoelectric with maximum ZT of 1.18 at 1000 K.
Topics & Concepts
Thermoelectric effectThermoelectric materialsMaterials scienceThermal conductivityPhononCondensed matter physicsAnisotropyDensity functional theoryBoltzmann equationThermodynamicsChemistryComputational chemistryPhysicsOpticsComposite materialAdvanced Thermoelectric Materials and DevicesThermal properties of materials2D Materials and Applications