Abstract:Thermoelectric materials offer an unambiguous solution to the ever-increasing global demand for energy by harnessing the Seebeck effect to convert waste heat to electrical energy. Mixed-anion materials are ideal candidate thermoelectric materials due to their thermal stability and potential for “phonon-glass, electron-crystal” behaviour. In this study, we use density-functional theory (DFT) calculations to investigate Y2Ti2O5S2, a cation-deficient Ruddlesten-Popper system, as a potential thermoelectric. We use… Show more
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