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...
Main Authors: | Ivano E Castelli, Juan María García-Lastra, Falco Hüser, Kristian S Thygesen, Karsten W Jacobsen |
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Format: | Article |
Language: | English |
Published: |
IOP Publishing
2013-01-01
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Series: | New Journal of Physics |
Online Access: | https://doi.org/10.1088/1367-2630/15/10/105026 |
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