Abstract
The present study reports the green synthesis of triangular ZnO nanoparticles (G-ZnO NPs) using Azadirachta indica leaves extract, and a shape dependent density functional investigation for ZnO NPs on their antimicrobial activity. The X-ray diffraction (XRD) analysis shows the synthesized G-ZnO NPs are well crystalline in nature and calculated grain size is found to be 60–65 nm. The Fourier transforms infrared spectroscopy (FT-IR) represents that the functional group and capping agents are well attached to the nanoparticles, and the bands located near 500.8 cm−1, 459.07 cm−1 and 418.57 cm−1 represents G-ZnO NPs. Scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDS) confirmed the presence of the synthesized G-ZnO nanoparticles with an average size range 100–200 nm. The synthesized G-ZnO NPs are found to be in the triangular shape. A detail theoretical investigation under density functional framework shows that our synthesized triangular ZnO nanoparticles are better candidate for biological interactions compared to the prototypical spherical counterpart. The synthesized G-ZnO nanoparticles using A. indica leaves extract in triangular shape are found to show significant antimicrobial activity against Escherichia coli and Bacillus subtilis indicating a better alternative to the typical chemical methods.
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Acknowledgements
DRR is thankful to the SERB, New Delhi, Govt. of India for financial support (Grant No. CRG/2020/002634). BKS is thankful for her UGC-RGNF fellowship (RGNF-2017-18-SC-GUJ-35487).
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Sharma, B.K., Mehta, B.R., Shah, E.V. et al. Green Synthesis of Triangular ZnO Nanoparticles Using Azadirachta indica Leaf Extract and Its Shape Dependency for Significant Antimicrobial Activity: Joint Experimental and Theoretical Investigation. J Clust Sci 33, 2517–2530 (2022). https://doi.org/10.1007/s10876-021-02145-x
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DOI: https://doi.org/10.1007/s10876-021-02145-x