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Layered double hydroxide–borate composites supported on magnetic nanoparticles: preparation, characterization and molecular dynamics simulations

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Abstract

Magnetic nanocomposites involving tetraborate ion (TB)-intercalated Mg–Al-layered double hydroxide (LDH) shell supported on magnesium ferrite core particles are synthesized, characterized, and compared with their non-magnetic analogues. The compositions of the obtained nanocomposites were determined and structural investigations were made by powder X-ray diffraction and Fourier transform infrared spectroscopy. Particle characteristics were examined by size distribution, specific surface area measurements, scanning electron microscopy and transmission electron microscopy. Room-temperature magnetic measurements were performed with a vibrating sample magnetometer. The dynamics and structure of the interlayer water molecules and borate ions were studied by molecular dynamics simulations. Analytical and modeling studies verified that the TB ions were arranged between the LDH layers in oblique positions. The products were found to carry ca. 6% boron (1017 B atom/μg nanocomposite). The magnetic nanocomposite showed superparamagnetic properties and can potentially find applications in biomedical fields for the site-specific delivery of bio-potent boron agents.

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Acknowledgements

This work has been supported by Hacettepe University through project: 012 01 601 002. A.G.K. also acknowledges support of the Basic Research Program at the National Research University Higher School of Economics within the framework of a subsidy by the Russian Academic Excellence Project “5-100”.

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Authors and Affiliations

  1. Department of Chemistry, Hacettepe University, 06800, Ankara, Turkey

    Ahmet Nedim Ay & Birgul Zumreoglu-Karan

  2. SUBATECH (UMR 6457 – IMT Atlantique, Université de Nantes, CNRS/IN2P3), Nantes, France

    Andrey G. Kalinichev

  3. International Laboratory SAMMA, National Research Univ. Higher School of Economics, Moscow, Russia

    Andrey G. Kalinichev

  4. GIR- QUESCAT, Department of Inorganic Chemistry, University of Salamanca, 37008, Salamanca, Spain

    Vicente Rives & Raquel Trujillano

  5. Department of Geological Engineering, Hacettepe University, 06800, Ankara, Turkey

    Abidin Temel

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  1. Ahmet Nedim Ay
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  3. Andrey G. Kalinichev
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Correspondence to Ahmet Nedim Ay.

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Electronic supplementary material

Powder XRD patterns, FT-IR spectra and TGA/D-TGA curves of NO3–LDH, TB–LDH, NO3–LDH /MF and TB–LDH/MF, Particle size distribution curves of TB–LDH and TB–LDH/MF. A complete list of the force field parameters describing the energy of interatomic interactions in the simulated systems is also provided in Supplementary Information together with the description of how these parameters were used in the present calculations. Below is the link to the electronic supplementary material.

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Ay, A.N., Zumreoglu-Karan, B., Kalinichev, A.G. et al. Layered double hydroxide–borate composites supported on magnetic nanoparticles: preparation, characterization and molecular dynamics simulations. J Porous Mater 27, 735–743 (2020). https://doi.org/10.1007/s10934-019-00853-4

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