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Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs
[Image: see text] Microscopic knowledge of the structural, energetic, and electronic properties of scandium fluoride is still incomplete despite the relevance of this material as an intermediate for the manufacturing of Al–Sc alloys. In a work based on first-principles calculations and X-ray spectro...
Autores principales: | Machado Ferreira de Araujo, Fabiana, Duarte-Ruiz, Daniel, Saßnick, Holger-Dietrich, Gentzmann, Marie C., Huthwelker, Thomas, Cocchi, Caterina |
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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/PMC10015455/ https://www.ncbi.nlm.nih.gov/pubmed/36858964 http://dx.doi.org/10.1021/acs.inorgchem.2c04357 |
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