@article{d071a8a2f9cb4b91b355bc0263dc1ee9,
title = "Full in silico DFT characterization of lanthanum and yttrium based oxynitride semiconductors for solar fuels",
abstract = "The full characterization of YTaON$_{2}$ and YTiO$_{2}$N is performed by DFT and compared to their La-based counterparts.",
author = "{Garcia Esparza}, {Angel T.} and Nina Tymi{\'n}ska and {Al Orabi}, {Rabih Al Rahal} and {Le Bahers}, Tangui",
note = "KAUST Repository Item: Exported on 2021-03-11 Acknowledged KAUST grant number(s): 1974-02 Acknowledgements: This work was provided by King Abdullah University of Science and Technology (KAUST, framework of the academic partnership program “Water Splitting” between ENS de Lyon and KAUST) (1974-02). The authors gratefully acknowledge the computational resources provided by IDRIS (project A0010800609) and by the PSMN. The authors thank Prof. Kazuhiro Takanabe for fruitful discussions. This publication acknowledges KAUST support, but has no KAUST affiliated authors.",
year = "2019",
doi = "10.1039/c8tc05749d",
language = "English (US)",
volume = "7",
pages = "1612--1621",
journal = "Journal of Materials Chemistry C",
issn = "2050-7526",
publisher = "Royal Society of Chemistry",
number = "6",
}