Experimental exploration and DFT analysis of the kinetics and mechanism of malachite green photodegradation catalyzed by polyaniline-copper oxide nanocomposite.

Context And Results: A nanocomposite photocatalyst consisting of polyaniline (PANI) and copper oxide (CuO) was successfully synthesized through an in-situ polymerization approach using aniline as the precursor. The synthesized nanocomposite was characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV-visible spectroscopy (UV-Vis), determination of the point of zero charge (pHPZC), and scanning electron microscopy (SEM). The photocatalytic efficiency of the PANI-CuO nanocomposite was evaluated in the context of photodegrading Malachite Green (MG) dye under visible light.

Pressure effect on the physical, mechanical, and thermal properties of ternary halide perovskite AgCaCl: a first-principles study.

Context And Results: As an inorganic halide perovskite material, AgCaCl, characterized by its high stability and environmental friendliness, is considered a potential candidate for major applications in optoelectronics and lens manufacturing. This work aimed to determine the electronic properties such as density of state (DOS) and band structure (BS) of AgCaCl3. The results showed that the material has an indirect band gap almost invariably at 1.