Issue 16, 2023

Development of fluorescent carbon nanoparticles from Madhuca longifolia flower for the sensitive and selective detection of Cr6+: a collective experimental–computational approach

Abstract

Herein, blue-emitting carbon nanoparticles (CNPs) were synthesized using the Madhuca longifolia flower for the highly selective and sensitive detection of Cr6+ ions in aqueous media using a simple, green, and cost-effective approach, and computational experiments were also performed. The prepared CNPs were well-dispersed in water with an average diameter of 12 nm and functionalized with carbonyl, hydroxyl and carboxylic acid groups. The decrease in the fluorescence intensity of the CNPs with an increase in the content of Cr6+ provided an important signal for the sensitive and selective detection of Cr6+ in aqueous media. The limit of detection for Cr6+ in an aqueous medium was found to be 103 ppb, which is more sensitive in comparison with the previously reported study. Furthermore, the validation of the proposed higher sensing feature and more selective nature of the CNPs towards Cr6+ was also explained using an in silico approach. The results from the theoretical calculations based on the DFT approach demonstrated that the binding energy (BE) of the CNPs with three transition metal (TM) cations (Cr6+, Fe3+, and Hg2+) follows the order of Cr6+ > Fe3+ > Hg2+, where the Cr6+ TM cation associated with the CNPs possesses the highest valence state, showing the highest sensing feature and highest selectivity among the investigated ions, as expected. The metal ions associated with the CNPs having a higher charge and a smaller radius indicated a higher BE and larger degree of deformation of the CNPs. Moreover, to achieve new insights into the structural, stability/energetics, and electronic features, some useful tools, such as NCI-plot, HOMO–LUMO gap, MESP, and QTAIM analysis were employed, which facilitated noteworthy outcomes.

Graphical abstract: Development of fluorescent carbon nanoparticles from Madhuca longifolia flower for the sensitive and selective detection of Cr6+: a collective experimental–computational approach

Supplementary files

Article information

Article type
Paper
Submitted
01 May 2023
Accepted
14 Jul 2023
First published
18 Jul 2023
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2023,5, 4269-4285

Development of fluorescent carbon nanoparticles from Madhuca longifolia flower for the sensitive and selective detection of Cr6+: a collective experimental–computational approach

T. Mandal, A. K. Ghosh, S. R. Mishra, S. K. Pandey and V. Singh, Nanoscale Adv., 2023, 5, 4269 DOI: 10.1039/D3NA00289F

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements