Calculated optical absorption of different perovskite phases

Castelli, Ivano E.; Thygesen, Kristian S.; Jacobsen, Karsten W.

doi:10.1039/C5TA01586C

Calculated optical absorption of different perovskite phases

Journal Article · Wed Dec 31 23:00:00 EST 2014 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/C5TA01586C· OSTI ID:1386089

Castelli, Ivano E. ^[1]; Thygesen, Kristian S. ^[1]; Jacobsen, Karsten W. ^[1]

Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark

We present calculations of the optical properties of a set of around 80 oxides, oxynitrides, and organometal halide cubic and layered perovskites (Ruddlesden–Popper and Dion–Jacobson phases) with a bandgap in the visible part of the solar spectrum.

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center on Nanostructuring for Efficient Energy Conversion (CNEEC)

Sponsoring Organization:: USDOE SC Office of Basic Energy Sciences (SC-22)

DOE Contract Number:: SC0001060

OSTI ID:: 1386089

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 23 Vol. 3; ISSN JMCAET; ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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Calculated optical absorption of different perovskite phases

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