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An ab initio DFT perspective on experimentally synthesized CuBi(2)O(4)

Here we present a comprehensive density functional theory (DFT) based ab initio study of copper bismuth oxide CuBi(2)O(4) (CBO) in combination with experimental observations. The CBO samples were prepared following both solid-state reaction (SCBO) and hydrothermal (HCBO) methods. The P4/ncc phase pu...

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Detalles Bibliográficos
Autores principales:	Hossain, Quazi Shafayat, Ahmed, Shahran, Nishat, Sadiq Shahriyar, Hossain, Md. Zarif, Khan, M. N. I., Hasan, Tarique, Bashar, Muhammad Shahriar, Hakim, Mahmuda, Syed, Ishtiaque M., Hossain, Khandker Saadat, Ahmed, Imtiaz
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/PMC10170495/ https://www.ncbi.nlm.nih.gov/pubmed/37180022 http://dx.doi.org/10.1039/d3ra01813j

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