Understanding the electronic structure of Y <sub>2</sub> Ti <sub>2</sub> O <sub>5</sub> S <sub>2</sub> for green hydrogen production: a hybrid-DFT and GW study
Katarina Brlec, Christopher N. Savory, David O. Scanlon
Abstract
weakly onsets due to dipole-forbidden transitions, and hybrid Wannier-Mott/Frenkel excitonic behaviour is predicted to occur due to the two-dimensional electronic structure, with an exciton binding energy of 0.4 eV.
Topics & Concepts
Production (economics)Electronic structureHydrogenMaterials sciencePhysicsEngineering physicsAtomic physicsCondensed matter physicsQuantum mechanicsMacroeconomicsEconomicsAdvancements in Solid Oxide Fuel CellsInorganic Chemistry and Materials