3366185
doi
10.5281/zenodo.3366185
oai:zenodo.org:3366185
Marco Molinari
University of Huddersfield
Joel Statham
University of Bath
Ji Wu
University of Bath
Stephen C. Parker
University of Bath
Data Supporting The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries
Adam Symington
University of Bath
doi:10.1088/2515-7655/ab28b5
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
Grain Boundary, Cerium Dioxide, Ceria, Oxygen Vacancy Segregation, Space-Charge, Electrostatic Potential, Diffusion
<p>Data supporting the article "The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO<sub>2</sub> grain boundaries, accepted for publication in the Journal of Physics: Energy (<a href="https://doi.org/10.1088/2515-7655/ab28b5">doi.org/10.1088/2515-7655/ab28b5</a>). Data includes inputs for molecular dynamics simulations using the DL_POLY classic code.Simulations can be rerun from the inputs provide. </p>
<p>Input data required for the generation of the grain boundary structures is included and uses the METADISE code. </p>
Zenodo
2019-06-11
info:eu-repo/semantics/other
3366184
1
1579893878.399156
390496
md5:8fb9d30dad6b751f38dab021bed43f5a
https://zenodo.org/records/3366185/files/Data_Archive.tar.gz
public
10.1088/2515-7655/ab28b5
Is documented by
doi
10.5281/zenodo.3366184
isVersionOf
doi
Journal Physics: Energy
2019-06-11