Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Detection of Heavy Metals in Water Using Graphene Quantum Dots: An Experimental and Theoretical Study

Version 1 : Received: 8 July 2021 / Approved: 9 July 2021 / Online: 9 July 2021 (13:22:41 CEST)

A peer-reviewed article of this Preprint also exists.

Journal reference: Molecules 2021, 26, 5519
DOI: 10.3390/molecules26185519


In this work, we investigate by ab initio calculations and optical experiments the sensitiv- ity of graphene quantum dots in their use as devices to measure the presence, and concentration, of heavy metals in water. We demonstrate that the quenching or enhancement in the optical response (absorption, emission) depends on the metallic ion considered. In particular, two test cases of opposite behaviour are considered: Cd 2+ , where we observe an increase in the optical response for increasing concentration, and Pb 2 whose emission spectra are quenched along the concentration rise. We envisage that quantum dots of graphene may be routinely used as cheap detectors to measure the degree of poisoning ions in water


Graphene oxide; Quantum Dots; TD-DFT; Absorption; Quenching effect; Concentration; Optical Response



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