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Title: Materials Data on ZrO2 by Materials Project

Abstract

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Publication Date:
Other Number(s):
mp-1245318
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZrO2; O-Zr
OSTI Identifier:
1679005
DOI:
https://doi.org/10.17188/1679005

Citation Formats

The Materials Project. Materials Data on ZrO2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1679005.
The Materials Project. Materials Data on ZrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1679005
The Materials Project. 2019. "Materials Data on ZrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1679005. https://www.osti.gov/servlets/purl/1679005. Pub date:Tue Jul 02 00:00:00 EDT 2019
@article{osti_1679005,
title = {Materials Data on ZrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations},
doi = {10.17188/1679005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {7}
}

Works referenced in this record:

Study of Ni and Pt catalysts supported on α-Al2O3 and ZrO2 applied in methane reforming with CO2
journal, January 2007


The effect of potassium on the activity and stability of Ni–MgO–ZrO2 catalysts for the dry reforming of methane to give synthesis gas
journal, December 2011