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Combined experimental and DFT approach to BiNbO(4) polymorphs

Here we present a detailed ab initio study of two experimentally synthesized bismuth niobate BiNbO(4) (BNO) polymorphs within the framework of density functional theory (DFT). We synthesized orthorhombic α-BNO and triclinic β-BNO using a solid-state reaction technique. The underlying Pnna and P1̄ cr...

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Detalles Bibliográficos
Autores principales:	Hossain, Md. Zarif, Nishat, Sadiq Shahriyar, Ahmed, Shahran, Hossain, Quazi Shafayat, Khan, M. N. I., Hasan, Tarique, Bashar, Muhammad Shahriar, Hossain Faysal, A. K. M. Sarwar, Syed, Ishtiaque M., Hossain, Khandker Saadat, Hussain, Sakhawat, Khan, Md. Mosaddek, 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/PMC9926165/ https://www.ncbi.nlm.nih.gov/pubmed/36798614 http://dx.doi.org/10.1039/d2ra07910k

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