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The effect of composition changes on the structure and electronic properties of jamesonite: a DFT study
Models of jamesonite with different compositions were built by different amounts of Sb or Pb substitution at Fe sites, and their structures and electronic properties were studied using the DFT method. The structure and properties of jamesonite significantly changed after Sb or Pb substitution. The l...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10478641/ https://www.ncbi.nlm.nih.gov/pubmed/37674491 http://dx.doi.org/10.1039/d3ra03401a |