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.
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