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Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO₂ Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study.

ABSTRACT: In this article, we studied the antimicrobial activity of TiO₂ sensitized by the Zn(II)-tetracarboxy-phthalocyanine (TcPcZn) complex using TiO₂-Degussa P25 as a semiconductor source. The TiO₂ thin films were deposited by the doctor blade method and were sensitized by the chemisorption process. The obtained compounds were characterized using Fourier transform infrared spectroscopy, UV-vis spectrophotometry, Raman spectroscopy, diffuse reflectance spectroscopy, and scanning electron microscopy. Furthermore, we studied the stability of the adsorbed sensitizer on the semiconductor surface by using the density functional theory (DFT). Additionally, we determined the antimicrobial activity of TcPcZn-TiO₂ against methicillin-resistant Staphylococcus aureus (MRSA). The Raman and optical results confirmed the sensitizing process. The TcPcZn-TiO₂ thin films showed radiation absorption in the visible range of the electromagnetic spectrum (600-750 nm), and the dye anchored on the TiO₂ surface had a band gap of 1.58 eV. The DFT study showed that TcPcZn supported on any phase of Degussa P25 is stable, making them suitable to act as catalysts in the proposed reactions. Finally, the TcPcZn-TiO₂ thin films reached 76.5% of inhibition activity against MRSA.

SUBMITTER: Vallejo W

PROVIDER: S-EPMC8173549 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:Titanium dioxide (TiO2) in the form of thin films has attracted enormous attention for photocatalysis. It combines the fundamental properties of TiO2 as a large bandgap semiconductor with the advantage of thin films, making it competitive with TiO2 powders for recycling and maintenance in photocatalytic applications. There are many aspects affecting the photocatalytic performance of thin film structures, such as the nanocrystalline size, surface morphology, and phase composition. However, the quantification of each influencing aspect needs to be better studied and correlated. Here, we prepared a series of TiO2 thin films using a sol-gel process and spin-coated on p-type, (100)-oriented silicon substrates with a native oxide layer. The as-deposited TiO2 thin films were then annealed at different temperatures from 400 °C to 800 °C for 3 h in an ambient atmosphere. This sample synthesis provided systemic parameter variation regarding the aspects mentioned above. To characterize thin films, several techniques were used. Spectroscopic ellipsometry (SE) was employed for the investigation of the film thickness and the optical properties. The results revealed that an increasing annealing temperature reduced the film thickness with an increase in the refractive index. Atomic force microscopy (AFM) was utilized to examine the surface morphology, revealing an increased surface roughness and grain sizes. X-ray diffractometry (XRD) and UV-Raman spectroscopy were used to study the phase composition and crystallite size. The annealing process initially led to the formation of pure anatase, followed by a transformation from anatase to rutile as the annealing temperature increased. An overall enhancement in crystallinity was also observed. The photocatalytic properties of the thin films were tested using the photocatalytic decomposition of acetone gas in a home-built solid (photocatalyst)-gas (reactant) reactor. The composition of the gas mixture in the reaction chamber was monitored using in situ Fourier transform infrared spectroscopy. Finally, all of the structural and spectroscopic characteristics of the TiO2 thin films were quantified and correlated with their photocatalytic properties using a correlation matrix. This provided a good overview of which film properties affect the photocatalytic efficiency the most.

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Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO₂ Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study.

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Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study.

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Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO₂ Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study.