Experimental and theoretical study of catalytic dye degradation and bactericidal potential of multiple phase Bi and MoS₂ doped SnO₂ quantum dots

In the present study, different concentrations (1 and 3%) of Bi were incorporated into a fixed amount of molybdenum disulfide (MoS₂) and SnO₂ quantum dots (QDs) by co-precipitation technique. This research aimed to increase the efficacy of dye degradation and bactericidal behavior of SnO₂. The high recombination rate of SnO₂ can be decreased upon doping with two-dimensional materials (MoS₂ nanosheets) and Bi metal. These binary dopants-based SnO₂ showed a significant role in methylene blue (MB) dye degradation in various pH media and antimicrobial potential as more active sites are provided by nanostructured MoS₂ and Bi³⁺ is responsible for producing a variety of different oxygen vacancies within SnO₂. The prepared QDs were described via morphology, optical characteristics, elemental composition, functional group, phase formation, crystallinity, and d-spacing. In contrast, antimicrobial activity was checked at high and low dosages against Escherichia coli (E. coli) and the inhibition zone was calculated utilizing a Vernier caliper. Furthermore, prepared samples have expressed substantial antimicrobial effects against E. coli. To further explore the interactions between the MB and Bi/MoS₂-SnO₂ composite, we modeled and calculated the MB adsorption using density functional theory and the Heyd-Scuseria-Ernzerhof hybrid (HSE06) approach. There is a relatively strong interaction between the MB molecule and Bi/MoS₂-SnO₂ composite.