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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...

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Detalles Bibliográficos
Autores principales:	Zhou, Xi, Zhao, Cuihua, Chen, Jianhua, Feng, Yao
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2023
Materias:	Chemistry
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

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