Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations

Abstract Ideal sillenite type Bi12FeO20 (BFO) micron sized single crystals have been successfully grown via inexpensive hydrothermal method. The refined single crystal X-ray diffraction data reveals cubic Bi12FeO20 structure with single crystal parameters. Occurrence of rare Fe4+ state is identified...

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Autores principales:	Durga Sankar Vavilapalli, Ambrose A. Melvin, F. Bellarmine, Ramanjaneyulu Mannam, Srihari Velaga, Himanshu K. Poswal, Ambesh Dixit, M. S. Ramachandra Rao, Shubra Singh
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/3dd780077a77431cb807641daaa70e28
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spelling	oai:doaj.org-article:3dd780077a77431cb807641daaa70e282021-12-02T13:34:01ZGrowth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations10.1038/s41598-020-78598-32045-2322https://doaj.org/article/3dd780077a77431cb807641daaa70e282020-12-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-78598-3https://doaj.org/toc/2045-2322Abstract Ideal sillenite type Bi12FeO20 (BFO) micron sized single crystals have been successfully grown via inexpensive hydrothermal method. The refined single crystal X-ray diffraction data reveals cubic Bi12FeO20 structure with single crystal parameters. Occurrence of rare Fe4+ state is identified via X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The lattice parameter (a) and corresponding molar volume (V m ) of Bi12FeO20 have been measured in the temperature range of 30–700 °C by the X-ray diffraction method. The thermal expansion coefficient (α) 3.93 × 10–5 K−1 was calculated from the measured values of the parameters. Electronic structure and density of states are investigated by first principle calculations. Photoelectrochemical measurements on single crystals with bandgap of 2 eV reveal significant photo response. The photoactivity of as grown crystals were further investigated by degrading organic effluents such as Methylene blue (MB) and Congo red (CR) under natural sunlight. BFO showed photodegradation efficiency about 74.23% and 32.10% for degrading MB and CR respectively. Interesting morphology and microstructure of pointed spearhead like BFO crystals provide a new insight in designing and synthesizing multifunctional single crystals.Durga Sankar VavilapalliAmbrose A. MelvinF. BellarmineRamanjaneyulu MannamSrihari VelagaHimanshu K. PoswalAmbesh DixitM. S. Ramachandra RaoShubra SinghNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 10, Iss 1, Pp 1-10 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Durga Sankar Vavilapalli Ambrose A. Melvin F. Bellarmine Ramanjaneyulu Mannam Srihari Velaga Himanshu K. Poswal Ambesh Dixit M. S. Ramachandra Rao Shubra Singh Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations
description	Abstract Ideal sillenite type Bi12FeO20 (BFO) micron sized single crystals have been successfully grown via inexpensive hydrothermal method. The refined single crystal X-ray diffraction data reveals cubic Bi12FeO20 structure with single crystal parameters. Occurrence of rare Fe4+ state is identified via X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The lattice parameter (a) and corresponding molar volume (V m ) of Bi12FeO20 have been measured in the temperature range of 30–700 °C by the X-ray diffraction method. The thermal expansion coefficient (α) 3.93 × 10–5 K−1 was calculated from the measured values of the parameters. Electronic structure and density of states are investigated by first principle calculations. Photoelectrochemical measurements on single crystals with bandgap of 2 eV reveal significant photo response. The photoactivity of as grown crystals were further investigated by degrading organic effluents such as Methylene blue (MB) and Congo red (CR) under natural sunlight. BFO showed photodegradation efficiency about 74.23% and 32.10% for degrading MB and CR respectively. Interesting morphology and microstructure of pointed spearhead like BFO crystals provide a new insight in designing and synthesizing multifunctional single crystals.
format	article
author	Durga Sankar Vavilapalli Ambrose A. Melvin F. Bellarmine Ramanjaneyulu Mannam Srihari Velaga Himanshu K. Poswal Ambesh Dixit M. S. Ramachandra Rao Shubra Singh
author_facet	Durga Sankar Vavilapalli Ambrose A. Melvin F. Bellarmine Ramanjaneyulu Mannam Srihari Velaga Himanshu K. Poswal Ambesh Dixit M. S. Ramachandra Rao Shubra Singh
author_sort	Durga Sankar Vavilapalli
title	Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations
title_short	Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations
title_full	Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations
title_fullStr	Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations
title_full_unstemmed	Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations
title_sort	growth of sillenite bi12feo20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/3dd780077a77431cb807641daaa70e28
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Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations

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