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Title: Calculated optical absorption of different perovskite phases

Abstract

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.

Authors:
 [1];  [1];  [1]
  1. Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center on Nanostructuring for Efficient Energy Conversion (CNEEC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1386089
DOE Contract Number:
SC0001060
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Materials Chemistry. A; Journal Volume: 3; Journal Issue: 23; Related Information: CNEEC partners with Stanford University (lead); Carnegie Institution at Stanford; Technical University of Denmark
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; catalysis (heterogeneous), solar (fuels), photosynthesis (natural and artificial), bio-inspired, electrodes - solar, defects, charge transport, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Castelli, Ivano E., Thygesen, Kristian S., and Jacobsen, Karsten W. Calculated optical absorption of different perovskite phases. United States: N. p., 2015. Web. doi:10.1039/C5TA01586C.
Castelli, Ivano E., Thygesen, Kristian S., & Jacobsen, Karsten W. Calculated optical absorption of different perovskite phases. United States. doi:10.1039/C5TA01586C.
Castelli, Ivano E., Thygesen, Kristian S., and Jacobsen, Karsten W. Thu . "Calculated optical absorption of different perovskite phases". United States. doi:10.1039/C5TA01586C.
@article{osti_1386089,
title = {Calculated optical absorption of different perovskite phases},
author = {Castelli, Ivano E. and Thygesen, Kristian S. and Jacobsen, Karsten W.},
abstractNote = {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.},
doi = {10.1039/C5TA01586C},
journal = {Journal of Materials Chemistry. A},
number = 23,
volume = 3,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2015},
month = {Thu Jan 01 00:00:00 EST 2015}
}