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Research Article | Open Access

Experimental and computational study of annealed nickel sulfide quantum dots for catalytic and antibacterial activity

Muhammad Ikrama( ), Sawaira Moeena, Ali Haiderb, Anwar Ul-Hamidc( ), Haya Alhummianyd, Hamoud H. Somailye, Souraya Goumri-Saidf( ), Mohammed Benali Kanoung
Solar Cell Applications Research Lab, Department of Physics, Government College University Lahore, Lahore, 54000, Punjab, Pakistan
Department of Clinical Sciences, Faculty of Veterinary and Animal Sciences, Muhammad Nawaz Shareef, University of Agriculture, 66000, Multan, Punjab, Pakistan
Core Research Facilities, King Fahd University of Petroleum & Minerals, Dhahran, 31261, Saudi Arabia
Department of Physics, Faculty of Science, University of Jeddah, P.O. Box 13151, Jeddah, 21493, Saudi Arabia
Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, Saudi Arabia
Physics Department, College of Science and General Studies, Alfaisal University, P.O. Box 50927, Riyadh, 11533, Saudi Arabia
Department of Mathematics and Sciences, College of Humanities and Sciences, Prince Sultan University, P.O. Box 66833, Riyadh, 11586, Saudi Arabia
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Abstract

This research investigates the hydrothermal synthesis and annealing duration effects on nickel sulfide (NiS2) quantum dots (QDs) for catalytic decolorization of methylene blue (MB) dye and antimicrobial efficacy. QD size increased with longer annealing, reducing catalytic activity. UV–vis, XRD, TEM, and FTIR analyses probed optical, structural, morphological, and vibrational features. XRD confirmed NiS2's anorthic structure, with crystallite size growing from 6.53 to 7.81 ​nm during extended annealing. UV–Vis exhibited a bathochromic shift, reflecting reduced band gap energy (Eg) in NiS2. TEM revealed NiS2 QD formation, with agglomerated QD average size increasing from 7.13 to 9.65 ​nm with prolonged annealing. Pure NiS2 showed significant MB decolorization (89.85%) in acidic conditions. Annealed NiS2 QDs demonstrated notable antibacterial activity, yielding a 6.15 ​mm inhibition zone against Escherichia coli (E. coli) compared to Ciprofloxacin. First-principles computations supported a robust interaction between MB and NiS2, evidenced by obtained adsorption energies. This study highlights the nuanced relationship between annealing duration, structural changes, and functional properties in NiS2 QDs, emphasizing their potential applications in catalysis and antibacterial interventions.

Keywords

quantum dotsdegradationantibacterialDFTdyeNiS2

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Nano Materials Science
Volume 6 Issue 3,
June 2024
Pages 355-364
DOI: 10.1016/j.nanoms.2023.11.007
Cite this article:
Ikram M, Moeen S, Haider A, et al. Experimental and computational study of annealed nickel sulfide quantum dots for catalytic and antibacterial activity. Nano Materials Science, 2024, 6(3): 355-364. https://doi.org/10.1016/j.nanoms.2023.11.007

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Received: 21 September 2023
Accepted: 13 November 2023
Published: 29 November 2023
© 2023 Chongqing University.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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