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First-principles investigation on the segregation of Pd at LaFe(1-x)Pd(x)O(3-y) surfaces
First-principles calculations were performed to investigate the effect of Pd concentration and oxygen vacancies on the stability of Pd at LaFeO(3) surfaces. We found a much stronger tendency of Pd to segregate by taking the aggregation of Pd at LaFe(1-x)Pd(x)O(3-y) surfaces into consideration, resul...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3848295/ https://www.ncbi.nlm.nih.gov/pubmed/23634933 http://dx.doi.org/10.1186/1556-276X-8-203 |