Description
Data supporting the article "The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries, accepted for publication in the Journal of Physics: Energy (doi.org/10.1088/2515-7655/ab28b5). Data includes inputs for molecular dynamics simulations using the DL_POLY classic code.Simulations can be rerun from the inputs provide. Input data required for the generation of the grain boundary structures is included and uses the METADISE code.
| Date made available | 11 Jun 2019 |
|---|---|
| Publisher | Zenodo |
Research output
- 1 Article
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The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries
Symington, A., Molinari, M., Statham, J., Wu, J. & Parker, S. C., 20 Sept 2019, In: Journal of Physics: Energy. 1, 4, 15 p.Research output: Contribution to journal › Article › peer-review
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