Data Supporting The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries
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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 (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.
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Zenodo创建时间：
2019-08-12
