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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/23692
Title: Magnetically active Ag–Zn nanoferrites synthesized by solution combustion route: physical chemical studies and density functional theory analysis
Authors: Singh J.
Kumar D.
Kumar P.S.
Huerta Aguilar C.A.
Vo D.-V.N.
Sharma, Apurbba Kumar
Kaur H.
Published in: Materials Today Chemistry
Abstract: Nanoparticles with mixed compositions, particularly spinel ferrites with magnetic activity, have arisen as contrast agents for magnetic resonance imaging, magnetic hyperthermia. For such applications, it is desirable to possess specific particle size and physicochemical properties, i.e., magnetic response, porosity, crystallinity, and so on. It is well known that controlling specific variables in the synthetic process has a dramatic effect on final product properties and behavior. Amid preparation techniques reported in the literature, low-temperature solution combustion method has shown the ability to control and direct synthesis simply and efficiently. We are presenting a study about controlling and tuning the magnetic properties and the effect of particle size modified in Ag–Zn nanoferrites with different amounts of Co and Ni as doping metals. Different combinations of Co and Ni within Ag–Zn (Ag0.25Zn0.5-xMxFe2.25O4) nanoferrites have been synthesized using the low-temperature solution combustion technique, and this method proved to be efficient and reliable for developing homogenous, fine structured materials. X-ray diffraction confirmed that the atomic structure of prepared nanoferrites is pure and cubic, whereas electron microscopy confirmed a semispherical and monodisperse morphology with particle diameter around 20 nm. The magnetic behavior of bred materials has been explained by analyzing magnetic factors such as saturation magnetization, coercivity, and retentivity, and all experimental findings are matched with theoretical density functional theory (DFT) studies to understand the effect of each material within A and B sites in ferrite crystal cell. The observed magnetic properties highlight the superparamagnetic behavior and the effect of doping metals which is an asset in developing new materials for diagnostic and therapeutic applications. DFT modeling was achieved in an attempt to understand the effect of metal substitution in cubic ferrite cells. © 2021 Elsevier Ltd
Citation: Materials Today Chemistry, 22
URI: https://doi.org/10.1016/j.mtchem.2021.100588
http://repository.iitr.ac.in/handle/123456789/23692
Issue Date: 2021
Publisher: Elsevier Ltd
Keywords: DFT
Green synthesis
Low-temperature solution combustion
Nanoferrites
Superparamagnetism
ISSN: 24685194
Author Scopus IDs: 35339992600
57220768513
24791292800
55847127500
35957358000
55434064300
57216480410
Author Affiliations: Singh, J., School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, 144411, India
Kumar, D., School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, 144411, India
Kumar, P.S., Department of Chemical Engineering, Sri Sivasubramaniya Nadar College of Engineering, Chennai, 603110, India
Huerta Aguilar, C.A., Tecnologico de Monterrey, School of Engineering and Sciences, 5718 Atlixcáyotl, Puebla, 72456, Mexico
Vo, D.-V.N., Center of Excellence for Green Energy and Environmental Nanomaterials (CE@GrEEN), Nguyen Tat Thanh University, Ho Chi Minh City, 755414, Viet Nam
Sharma, A., School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, 144411, India
Kaur, H., School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, 144411, India
Funding Details: The authors hereby acknowledge the University Grants Commission for funding (Letter No: 4159/Estt/A-2) the research work. The authors also acknowledge AIIMS, New Delhi for providing a TEM characterization facility. University Grants Commission, UGC: 4159/Estt/A-2; All-India Institute of Medical Sciences, AIIMS
Corresponding Author: Kaur, H.; School of Chemical Engineering and Physical Sciences, India; email: hkaur.chem@gmail.com
Appears in Collections:Journal Publications [ME]

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