Fabrication of La‐Doped MoS₂ Nanosheets with Tuned Bandgap for Dye Degradation and Antimicrobial Activities, Experimental and Computational Investigations

Abstract

The development of efficient catalysts with a large number of active sites, tunable bandgap, and large surface area has been very challenging. In addition, a significant bottleneck in the application of catalysts for water treatment is their dissolution under extreme conditions, such as highly acidic or highly alkaline conditions that lead to poor application of the reported materials in real‐world applications. In this study, the lanthanum (La)‐doped molybdenum disulfide (MoS2) nanosheets are reported for efficient breakdown of toxic pollutants from wastewater under a wide pH range from strongly alkaline to strongly acidic solutions. The La‐MoS2 nanosheets (NSs) are prepared by a facile hydrothermal approach using a two‐step methodology. A redshift is observed upon La doping, indicating that the bandgap is lowered after La doping in MoS2. The changes in bandgap and electronic structure are further investigated using the density functional theory (DFT), which reveal that doping of La introduces new states within the bandgap region, allowing for further induced energy transitions. The La‐MoS2, having a doping concentration of 2%, exhibits the highest catalytic activity against methylene blue (MB) in neutral, acidic, and alkaline solutions, as well as substantial inhibitory activity for bacterial strains such as Escherichia coli (E. coli). In summary, the modified catalyst provides a pathway to design highly efficient catalysts for all pH range water treatment as well as good activity against microbes.

Bioinspired 2D nanofluidic membranes for energy applications

“…159–161 Through DFT theoretical calculations, Mahmood et al showed that the unstable 1T MoS 2 can form a more stable heterostructure by binding with rGO nanosheets. 162 Furthermore, the synergistic effect induced by the strong interaction between rGO nanosheets and MoS 2 facilitates the interfacial faradaic charge transfer reaction, which transforms slow diffusion intercalation into fast redox reaction, resulting in long-cycle stability, high rate capability and high specific capacity. In addition, a graphene/h-BN bilayer system will enable tuning of the optical properties by regulating the band gap based on the composition and atomic configurations in the materials (Fig.…”

A critical review on metal-organic frameworks (MOFs) based nanomaterials for biomedical applications: Designing, recent trends, challenges, and prospects

“…The reduced toxicity of NMs can be attributed to their unique physicochemical properties, including their small size and large surface area, which enhance biocompatibility. NMs are more hydrophobic than conventional bone grafts [ 56 , 57 ]. Primarily, NM's hydrophobic nature facilitates favorable interactions with their surroundings.…”

Metal/Covalent Organic Framework Encapsulated Lead-Free Halide Perovskite Hybrid Nanocatalysts: Multifunctional Applications, Design, Recent Trends, Challenges, and Prospects

“…However, there are undeniably many advanced applications that have yet to be discovered. 145 8.2. HPs QDs@COFs.…”

“…Significant progress has been made in understanding and utilizing HPs QDs@MOFs. However, there are undeniably many advanced applications that have yet to be discovered …”