Full in silico DFT characterization of lanthanum and yttrium based oxynitride semiconductors for solar fuels
Author:
Affiliation:
1. Univ Lyon
2. ENS de Lyon
3. CNRS
4. Université Claude Bernard Lyon 1
5. Laboratoire de Chimie UMR 5182
6. Department of Physics and Science of Advanced Materials Program
7. Central Michigan University
8. Mt. Pleasant
9. USA
Abstract
The full characterization of YTaON2 and YTiO2N is performed by DFT and compared to their La-based counterparts.
Funder
King Abdullah University of Science and Technology
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/TC/C8TC05749D
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