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

doi:10.1016/j.jmst.2022.12.057

Abstract

Abstract: 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 synthesized 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 absorption, leading to effective separation and transfer of photoelectron-hole pairs. This novel nanocomposite 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 spectroscopy (EIS), transient photocurrent response, and a potential mechanism for organic pollutants degradation 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 removal 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 nanocomposite 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.

Key words: CsPbBr₃ QDs, MnSnO₂, Peroxymonosulfate, Nanocomposite, Photocatalyst, Organic pollutants, DFT

Raqiqa Tur Rasool, Ghulam Abbas Ashraf, Mohsin Pasha, Muhammad Farooq Saleem, Djamel Ghernaout, Mohammed M. Fadhali, Hai Guo. Nanoscaled MnSnO₂@CsPbBr₃ quantum dots heterostructure photocatalyst as efficient organic pollutants degradation by peroxymonosulfate; DFT calculation[J]. J. Mater. Sci. Technol., 2023, 153: 41-55.

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

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