Light-Harvesting Materials: New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations (Adv. Energy Mater. 2/2015)

Light-Harvesting Materials: New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations (Adv. Energy Mater. 2/2015)

In article number 1400915, Ivano E. Castelli and co‐workers present a calculation of the bandgaps of 2400 experimentally known materials. The data for the bandgaps, which are shown as coming out of the open box in the image, are freely available in the Materials Project database and the Computationa...

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Veröffentlicht in:Advanced energy materials 2015-01, Vol.5 (2), p.n/a
Hauptverfasser: Castelli, Ivano E., Hüser, Falco, Pandey, Mohnish, Li, Hong, Thygesen, Kristian S., Seger, Brian, Jain, Anubhav, Persson, Kristin A., Ceder, Gerbrand, Jacobsen, Karsten W.
Format: Artikel
Sprache:eng
Schlagworte:
high-throughput screening
light-harvesting materials
photoelectrochemical cells
Pourbaix diagrams
stability
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Zusammenfassung:In article number 1400915, Ivano E. Castelli and co‐workers present a calculation of the bandgaps of 2400 experimentally known materials. The data for the bandgaps, which are shown as coming out of the open box in the image, are freely available in the Materials Project database and the Computational Materials Repository. They can be used as a descriptor to identify novel materials for one‐photon water splitting in a photo‐electrochemical cell. Cover illustration design by Kåre Wedel Jacobsen.
ISSN:1614-6832
1614-6840
DOI:10.1002/aenm.201570007