Facile green synthesis of novel tantalum doped tungsten trioxide for photocatalytic degradation: Correlation with COMSOL simulation

The facile green synthesis technique is becoming more and more important, and it has been proposed as a potential substitute for chemical techniques. The current study describes a low-cost, environmentally friendly method for producing tungsten trioxide (WO3) and tantalum (Ta) doped WO3 nanoparticles that uses 15 % (w/v) Azadirachta indica (Neem) leaf extract and different concentrations of Ta dopant (1 to 5 %) due to its wellmatched ionic radius with WO3. Various techniques FESEM, TEM, EDX, BET, UV-Vis and PL, XRD, and FTIR were used to illustrate the morphological, elemental, optical, structural, and vibrational analysis of the synthesized nanoparticles respectively. Interestingly, the band gap was significantly reduced to 1.88 eV by the addition of a dopant element. For 3 % Ta/WO3, the average particle size was also reduced to 31.6 nm. The synthesized WO3 nanoparticles employed in the current study have been used for photocatalytic activity purposes. Methylene blue (MB), one of the principal water pollutants, was degraded more quickly by the synthesized Ta/WO3 nanoparticles when exposed to UV radiation. Among them, 3 % Ta/WO3 gives significantly higher photodegradation 89 % attributed to the Burstein-Moss effect. The significant output of optimized nanophotocatalyst has been observed from the trapping experiment and reusability test. Furthermore, Zeta potential and TOC analysis have been taken to check the stability and mineralization performance. Additionally, the results of the simulation that was carried out using the finite element analysis approach in the RF module of COMSOL Multiphysics 5.3a are quite similar to the experimental findings. This simulation method made it easier for readers to understand the numerous aspects of the photocatalytic process that has been discussed here.