Adam Symington
Marco Molinari
Joel Statham
Ji Wu
Stephen C. Parker
2019-06-11
<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>
https://doi.org/10.5281/zenodo.3366185
oai:zenodo.org:3366185
Zenodo
https://doi.org/10.1088/2515-7655/ab28b5
https://doi.org/10.5281/zenodo.3366184
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
Journal Physics: Energy, (2019-06-11)
Grain Boundary, Cerium Dioxide, Ceria, Oxygen Vacancy Segregation, Space-Charge, Electrostatic Potential, Diffusion
Data Supporting The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries
info:eu-repo/semantics/other