Amino Acid-Modified Defect-Rich (1T-2H) MoS2/MoO3 Nanoflowers for Organic Contaminants Removal and Bacterial Disinfection

Abstract Industrial and pharmaceutical contaminants, along with pathogenic microorganisms, in wastewater pose significant challenges to the environment and public health. In this context, rationally engineered multifunctional nano-adsorbents with tailored properties have emerged as a promising approach. Therefore, we designed defect-rich 1T-2H Molybdenum disulfide/Molybdenum trioxide nanoflowers (1T-2H MoS2/MoO3 NFs) using a simplified one-step hydrothermal method as an integrated platform for efficiently removing organic contaminants and microbial pathogens from wastewater. Comprehensive structural, morphological, and spectroscopic assessments validated the development of the amino acid-modified defect-rich 1T-2H MoS2/MoO3 NFs. The nanoflower architecture, defect-rich sites, surface functional groups, and phase heterogeneity provided abundant accessible sites for contaminant interactions, thereby enabling rapid and efficient removal of diverse contaminants. Therefore, outstanding removal efficiencies were achieved for Methylene Blue (MB, ∼92%, 80 mg/L), Rhodamine B (RhB, ∼80%, 60 mg/L), and Tetracycline (TC, ∼74%, 10 mg/L), with remarkably fast removal kinetics (∼2 min). The mechanistic investigations suggested that adsorption is chemisorption-dominated, with rapid surface adsorption at the beginning, followed by slower intraparticle diffusion. Moreover, multiple surface interactions, including electrostatic, π−π, hydrogen bonding, etc., facilitated adsorption. Additionally, the NFs exhibit excellent disinfection potential, inhibiting Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) bacteria (≥90% at 200 μg/mL), through synergistic membrane disruption and reactive oxygen species production. The NFs additionally exhibit favorable cytocompatibility and reusability. Thus, our study highlights integrated structural, morphological, and surface engineering as effective approaches for developing multifunctional 1T-2H MoS2/MoO3 NFs as a stimuli-free platform for wastewater treatment and disinfection while providing insights into the underlying mechanisms.