Concepedia

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

Journal of Materials Chemistry A · 2023 · 15 citations · 51 references

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Concepts

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.

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