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Research on Resistance to Water Intoxication of LaCoO(3) Doped with Fe at B Sites
[Image: see text] In this paper, the methods of spin polarization density functional theory and vasp software package are used to simulate the adsorption of H(2)O molecules on the surface of LaCoO(3) and La(2)CoFeO(6)(001). It was found that when Fe was doped at B-sites, the adsorption energy change...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413366/ https://www.ncbi.nlm.nih.gov/pubmed/37576689 http://dx.doi.org/10.1021/acsomega.3c02686 |