Nanoscaled MnSnO2@CsPbBr3 quantum dots heterostructure photocatalyst as efficient organic pollutants degradation by peroxymonosulfate; DFT calculation

In this work, we developed a promising photocatalyst in CsPbBr3 quantum dots (QDs) because of their exceptional optoelectronic characteristics. However, QDs applications in the field of photocatalysis were mainly hampered by their poor stability and insufficient charge transfer efficiency. Herein, a novel and efficient MnSnO2 @CsPbBr3 (MSO@QDs) nanocomposite was first time effectively designed and synthe-sized by a wet impregnation method for peroxymonosulfate (PMS) activation under the light. The newly generated interface phase of QDs between MnSnO2 (MSO) showed great potential to improve light ab-sorption, leading to effective separation and transfer of photoelectron-hole pairs. This novel nanocompos-ite MSO@QDs showed great Flurbiprofen (FL) removal efficiency under the PMS/Light system. It should be noted that this nanocomposite removed 85.74% of FL in just 70 min, which was almost 1.11 and 2.51 times greater than using pure QDs and pure MSO, respectively. Based on thorough measurements of structural analysis, Brunauer-Emmett-Teller (BET), UV-vis spectra, electrochemical impedance spec-troscopy (EIS), transient photocurrent response, and a potential mechanism for organic pollutants degra-dation over MSO@QDs nanocomposite was envisioned. The principal reactive species of photoinduced holes (h +), i.e. O2 -, SO4-, OH, and non-radical (1O2) were characterized via scavengers' technique and electron paramagnetic resonance (EPR) measurements. The highest photocatalytic performance for the re-moval of MO, MB, and IBU was demonstrated by MSO@QDs nanocomposite/PMS, revealing their excellent ability to remove organic pollutants through photo-oxidation. Furthermore, the developed nanocompos-ite exhibited good stability in an aqueous medium. According to computational investigation using the density functional theory (DFT) method, the site's higher Fukui index f0 value corresponds to a greater propensity to be attacked by reactive species. This work offers a fresh perspective on developing further high-efficiency, low-cost photocatalysts for wastewater treatment.(c) 2023 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.

Automated summary

A novel and efficient MnSnO2@CsPbBr3 nanocomposite was successfully designed and synthesized for the activation of peroxymonosulfate under light. The nanocomposite exhibited great potential to improve light absorption and enhance the separation and transfer of photoelectron-hole pairs. The MSO@QDs nanocomposite showed high photocatalytic performance in the removal of Flurbiprofen, demonstrating its excellent ability in organic pollutant degradation through photo-oxidation. Computational investigation using the DFT method provided insights into the reactivity of the nanocomposite. This work contributes to the development of high-efficiency and low-cost photocatalysts for wastewater treatment.