Stability and bandgaps of layered perovskites for one- and two-photon water splitting

Direct production of hydrogen from water and sunlight requires stable and abundantly available semiconductors with well positioned band edges relative to the water red-ox potentials. We have used density functional theory (DFT) calculations to investigate 300 oxides and oxynitrides in the Ruddlesden...

Descrizione completa

Dettagli Bibliografici
Autori principali: Ivano E Castelli, Juan María García-Lastra, Falco Hüser, Kristian S Thygesen, Karsten W Jacobsen
Natura: Articolo
Lingua:English
Pubblicazione: IOP Publishing 2013-01-01
Serie:New Journal of Physics
Accesso online:https://doi.org/10.1088/1367-2630/15/10/105026