Search Results (633)

This work investigates on how Fe incorporation influences the surface, microstructural, and optical properties of solution precursor plasma-sprayed TiO₂ coatings. The Fe-TiO₂ coatings were prepared using titanium isopropoxide and iron acetylacetonate as precursors, with ethanol as the solvent. X-ray diffraction analysis revealed the existence of both anatase and rutile TiO₂ phases, with a predominant rutile phase, also confirmed by Raman spectroscopy. There was an increase in the anatase crystals upon the addition of Fe ions. A longer spray distance further enhanced the anatase content and reduced the average TiO₂ crystallite sizes present in the Fe-added coatings. SEM cross-sectional images displayed finely grained, densely packed deposits in the Fe-added coatings. UV-Vis spectroscopy showed visible-light absorption by the Fe-TiO₂ coatings, with reduced band gap energies ranging from 2.846 ± 0.002 eV to 2.936 ± 0.003 eV. Photoluminescence analysis showed reduced emission intensity at 356 nm (3.48 eV) for the Fe-TiO₂ coatings. These findings confirm solution precursor plasma spray to be an effective method for developing Fe-TiO₂ coatings with potential application as visible-light-active photocatalysts. Full article

Since the definitions of the two-dimensional (2D) optical absorption coefficient and photoconductivity are independent of the thickness of 2D materials, they are more suitable than the dielectric function to describe the optical properties of 2D materials. Based on the many-body GW method and the Bethe–Salpeter equation, we calculated the quasiparticle electronic structure, optical absorbance, and complex photoconductivity of 2D InSe from a single layer (1L) to three layers (3L). The calculation results show that the energy difference between the direct and indirect band gaps in 1L, 2L, and 3L InSe is so small that strain can readily tune its electronic structure. The 2D optical absorbance results calculated taking into account exciton effects show that light absorption increases rapidly near the band gap. Strain modulation of 1L InSe shows that it transforms from an indirect bandgap semiconductor to a direct bandgap semiconductor in the biaxial compressive strain range of −1.66 to −3.60%. The biaxial compressive strain causes a slight blueshift in the energy positions of the first and second absorption peaks in monolayer InSe while inducing a measurable redshift in the energy positions of the third and fourth absorption peaks. Full article

Using the s-d model and Green’s function theory, we investigated for the first time the electron and hole doping effects on the magnetic and optical properties of the double perovskites ${\mathrm{Ba}}_2{\mathrm{FeMoO}}_6$ (BFMO) and ${\mathrm{Sr}}_2{\mathrm{FeMoO}}_6$ (SFMO). Our aim was to find the doping ions that lead to an increase in Curie temperature $T_C$. On the basis of a competition mechanism between spin exchange and s-d interactions, we explain at a microscopic level the decrease in magnetization M and band gap energy $E_g$, as well as the increase in $T_C$ of BFMO and SFMO through substitution with rare earth ions at the Ba(Sr) sites. The influence of doping with K at the Ba(Sr) and Co at the Fe sites on the magnetic properties and the band gap is also discussed. A very good qualitative coincidence with the existing experimental data was observed. Moreover, we found that both M and $T_C$ decrease with decreasing the size of BFMO and SFMO nanoparticles. Full article

Developing functional perovskites is important for advancing solar energy conversion technologies. This study investigates the effects of dopants on the structural, optical, electronic, and solar conversion performances of Ba₂M_0.4Bi_1.6O₆ double perovskites. X-ray diffraction (XRD) and Rietveld refinement confirm crystallization in the I2/m space group (M = La, Ce, Pr, Pb), and Fm$\overline{3}$m and I2/m space groups (M = Y). The B1-O-B2 structure modulates to highly ordered (M = La, Y), partially ordered (M = Pr), or disordered (M = Ce, Pb). UV-vis spectra show strong light absorption, with Tauc plots estimating ~1.57 eV (M = La) and ~1.73 eV (M = Pr) optical band gaps. Under AM 1.5G illumination, the M = La photoelectrode generates photocurrents of 1 mA cm⁻² at 0.3 V_RHE, surpassing M = Ce and Pb (1 μm, 4-times spin-coating). Increasing its thickness to 7.7 μm (4-times dip-coating) further enhances the photocurrents to 2.3 mA cm⁻² at 0.2 V_RHE, outperforming all counterparts due to improved stability. Fine-tuning crystal and electronic structures via strategic B-site doping provides a new route for engineering Ba₂Bi₂O₆-based double perovskites for broad solar energy conversion applications. Full article

This research examines the effect of annealing temperature on the growth orientation of zinc oxide (ZnO) nanorods and its subsequent influence on NO₂ gas sensing efficiency. Zinc oxide (ZnO) nanorods were synthesized using the chemical bath deposition method, followed by annealing at 300, 400, and 500 °C. Diffraction analysis confirmed that both non-annealed and annealed ZnO nanorods crystallize in a hexagonal wurtzite structure. However, increasing the annealing temperature shifts the growth orientation from the c-axis (002) toward the (100) and (101) directions. Microscopy images (FE-SEM) revealed a reduction in nanorod diameter as the annealing temperature increases. Optical characterization using UV–visible and photoluminescence spectroscopy indicated shifts in the band gap energy and emission properties. Contact angle measurements demonstrated the hydrophobic nature of the films. Gas sensing tests at 200 °C revealed that the ZnO thin film annealed at 400 °C achieved the highest NO₂ response of 5.88%. The study highlights the critical role of annealing in modifying the crystallinity, growth orientation, and defect states of ZnO thin films, ultimately enhancing their NO₂ detection capability. Full article

When a semiconducting sample is illuminated by an intensity-modulated monochromatic light beam with photon energy exceeding the band gap, part of the absorbed energy is directly converted into heat through photon–lattice interactions. This gives rise to a heat source that closely follows the temporal profile of the optical excitation, known as the fast heat source. Simultaneously, another portion of the absorbed energy is used to generate electron-hole pairs. These charge carriers diffuse together and recombine via electron–electron and electron–hole interactions, transferring their kinetic energy to the lattice and producing additional heating of the sample. This indirect heating mechanism, associated with carrier recombination, is referred to as the slow heat source. In this study, we develop a model describing surface temperature variations on the non-illuminated side of a thermally thin semiconductor exposed to a rectangular optical pulse, explicitly accounting for the contribution of surface charge carrier recombinations. Using this model, we investigate the influence of surface recombination velocity and the material’s plasma properties on the time-domain temperature response for both plasma-opaque and plasma-transparent samples. Our results demonstrate that charge carrier recombinations can significantly affect the transient photoacoustic signal recorded using a minimum volume cell, highlighting the potential of time-resolved photoacoustic techniques for probing the electronic properties of semiconductors. Full article

Thin, dense and nanocrystal bismuth oxide films were prepared by the in situ plasma-assisted reactive evaporation (ARE) method using lead doping. Thin films were deposited at room temperature and at 500 °C temperature on glass and silicon substrates. X-ray diffraction, SEM, EDS, and optical measurements were applied to characterize these bismuth oxide films. The results showed that it is possible to synthesize the δ-Bi₂O₃ phase thin films at a temperature lower than 729 °C using an plasma-assisted reactive evaporation (ARE) method and stabilize it (to room temperature) using the additives of lead oxide. The influence of lead oxide concentration on phase formation was investigated. The optimal amount of lead oxide dopant was determined. An excess of lead oxide concentration forms PbO and δ-Bi₂O₃ mixture phases and nanorods appear in films. The synthesized δ-Bi₂O₃ phase was metastable; it transformed into the β-Bi₂O₃ phase after thermal impact during impedance measurements. The cross section of thin film sample shows the dense and monolithic structure. Optical measurements show that the optical band gap increases with increasing lead concentration. It was found that the highest total ionic conductivity of (Bi_1−xPb_0.26)₂O₃ is 0.165 S/cm at 1073 K temperature and activation energy is ΔE_tot = 0.5 eV. Full article

Two−dimensional halide perovskites have emerged as promising optoelectronic materials, yet the uncontrolled defect formation during synthesis remains a critical challenge for their practical applications. In this work, we systematically investigate the structural, electronic, and optical properties of monolayer CsPb₂Br₅ in two representative configurations: ds−CsPb₂Br₅ and ss−CsPb₂Br₅. By introducing four types of vacancy defects—V_Br−c, V_Br−b, V_Cs, and V_Pb, we analyze their structural distortions, formation energies, and their impact on band structure and optical response using first−principles calculations. Our results reveal that Br−related vacancies are energetically most favorable and induce shallow defect levels and absorption edge redshifts in the ds−CsPb₂Br₅ structure, while in the ss−CsPb₂Br₅ configuration, only V_Br−b forms a defect state. V_Pb and V_Cs lead to significant sub−bandgap absorption enhancement and dielectric response due to band−edge reorganization, despite not introducing in−gap states. Notably, V_Br−c exhibits distinct infrared absorption in the ss−CsPb₂Br₅ model without electronic trap formation. These findings underscore the critical influence of defect type and slab asymmetry on the optoelectronic behavior of CsPb₂Br₅, providing guidance for defect engineering in perovskite−based optoelectronic applications. Full article

The novel benzanthrone derivative, 2-bromo-3-aminobenzo[de]anthracene-7-one (2-Br-3-NH₂BA), was synthesized and extensively characterized to investigate its photophysical behavior in various solvents. It was prepared through selective bromination of 3-aminobenzanthrone using N-bromosuccinimide in dimethylformamide at −20 °C. Featuring a donor–π–acceptor (D–π–A) structure, 2-Br-3-NH₂BA exhibits pronounced solvatochromism due to the intramolecular charge transfer (ICT) between the amino donor and the carbonyl acceptor groups. Optical measurements conducted in eight solvents of varying polarity revealed a significant bathochromic shift in both absorption and fluorescence emission, with emission maxima red-shifting by over 110 nm from non-polar to polar environments. Corresponding reductions in the optical band gap energies, as calculated from Tauc plots, further support solvent-induced electronic state modulation. Additionally, quantum yield analysis showed higher fluorescence efficiency in non-polar solvents, while polar solvents induced twisted intramolecular charge transfer (TICT), leading to emission quenching. These findings demonstrate the sensitivity of 2-Br-3-NH₂BA to environmental polarity, making it a promising candidate for color-tunable luminescent applications in optoelectronics and sensing. However, further studies in the solid state are required to validate its applicability in device architectures such as OLEDs. Full article

Nanomaterials are interesting due to their unexpected and unique properties arising from phenomena occurring at the so-called mesoscale (that is, between single atoms and bulk solids). Among nanomaterials, one may distinguish quantum dots, which are highly crystalline nanocrystals with sizes up to c.a. 10 nm. Due to the quantum confinement effect, quantum dots exhibit extraordinary electronic and optical properties and may be utilized in photocatalysis. Semiconducting quantum dots may absorb photons, which results in the excitation of electrons from valence to conducting bands. Excited electrons in the conducting band and positive holes in the valence band may interact with chemical molecules (e.g., with water molecules), forming highly reactive radicals. Consequently, quantum dots may be utilized in advanced oxidation processes based on the action of light (i.e., photo-based advanced oxidation processes). Furthermore, quantum dots have advantages, such as having a tunable energy band gap and relative cost-effectiveness. Advanced oxidation processes are very important in the context of the constantly increasing pollution of the natural environment. Contaminants of emerging concern, such as pesticides, endocrine-disrupting compounds, and flame retardants, are still being detected in naturally present water. Such compounds may be degraded using advanced oxidation processes, utilizing quantum dots as photocatalysts. However, many operational parameters (such as quantum dots’ properties, including the means of their preparation) influence the efficiency of such processes; thus, detailed studies are being conducted. Full article

The rising demand for sustainable energy solutions has spurred the development of advanced materials for photovoltaic devices. Among these, transparent conductive oxides (TCOs) play a pivotal role in enhancing device efficiency, particularly in silicon-based solar cells. However, the reliance on indium-based TCOs like ITO raises concerns over cost and material scarcity, prompting the search for more abundant and scalable alternatives. This study focuses on the fabrication and characterization of aluminum-doped zinc oxide (ZnO:Al, AZO) thin films deposited via Atomic Layer Deposition (ALD), targeting their application as transparent conductive oxides in silicon solar cells. The ZnO:Al thin films were synthesized by alternating supercycles of ZnO and Al₂O₃ depositions at 225 °C, allowing precise control of composition and thickness. Structural, optical, and electrical properties were assessed using Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray Spectroscopy (EDS), Transmission Electron Microscopy (TEM), Raman spectroscopy, spectroscopic ellipsometry, and four-point probe measurements. The results confirmed the formation of uniform, crack-free ZnO:Al thin films with a spinel-type ZnAl₂O₄ crystalline structure. Optical analyses revealed high transparency (more than 80%) and tunable refractive indices (1.64 ÷ 1.74); the energy band gap was 2.6 ÷ 3.07 eV, while electrical measurements demonstrated low sheet resistance values, reaching 85 Ω/□ for thicker films. This combination of optical and electrical properties underscores the potential of ALD-grown AZO thin films to meet the stringent demands of next-generation photovoltaics. Integration of Zn:Al thin films into silicon solar cells led to an optimized photovoltaic performance, with the best cell achieving a short-circuit current density of 36.0 mA/cm² and a power conversion efficiency of 15.3%. Overall, this work highlights the technological relevance of ZnO:Al thin films as a sustainable and cost-effective alternative to conventional TCOs, offering pathways toward more accessible and efficient solar energy solutions. Full article

Partial reduction of transition metal oxides via defect engineering is a promising strategy to enhance their electronic and photocatalytic properties. In this study, we systematically explored the mechanochemical reduction of Nb₂O₅ using LiBH₄ and NaBH₄ as reducing agents. Electron paramagnetic resonance (EPR) spectroscopy confirmed a successful partial reduction of the oxide, as seen by the presence of unpaired electrons. Interestingly, larger hydride concentrations did not necessarily enable a higher degree of reduction as large amounts of boron hydrides acted as a buffer material and thus hindered the effective transfer of mechanical energy. Powder X-ray diffraction (PXRD) and ⁷Li solid-state NMR spectroscopy indicated the intercalation of Li⁺ into the Nb₂O₅ lattice. Raman spectroscopy further revealed the increased structural disorder, while optical measurements showed a decreased band gap compared with pristine Nb₂O₅. The partially reduced samples showed significantly enhanced photocatalytic performance for methylene blue degradation relative to the unmodified oxides. Full article

This study employed a simple and cost-effective method for developing NiO with reduced optical band gaps that can be combined with nanostructured polyaniline (PANI). The composite systems were used as electrocatalytic and electrode materials in oxygen evolution reactions (OER) and in supercapacitor applications. We prepared the composite material in two stages: NiO was prepared with a reduced optical band gap by combining it with wheat peel extract. This was followed by the incorporation of PANI nanoparticles during the chemical oxidation polymerization process. A variety of structural characterization techniques were employed, including scanning electron microscopy (SEM), powder X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, UV-visible spectroscopy, and X-ray photoelectron spectroscopy (XPS). A surface-modified NiO/PANI composite with enhanced surface area, fast charge transfer rate, and redox properties was produced. When NiO/PANI composites were tested in KOH electrolytic solution, 0.5 mL of wheat peel extract-mediated NiO/PANI demonstrated excellent electrochemical performance. It was found that the asymmetric supercapacitor (ASC) device had the highest specific capacitance of 404 Fg⁻¹ at a current density of 4 Ag⁻¹. In terms of energy density and power density, the ASC device was found to have 140 Whkg⁻¹ and 3160 Wkg⁻¹, respectively. The ASC device demonstrated excellent cycling stability and charge storage rates, with 97.9% capacitance retention and 86.9% columbic efficiency. For the OER process, an overpotential of 320 mV was observed at a current density of 10 mA/cm². It was found that the NiO/PANI composite was highly durable for a period of 30 h. A proposed hypothesis suggested that reducing the optical band gap of NiO and making its composites with PANI could be an appealing approach to developing next-generation electrode materials for supercapacitors, batteries, and fuel cells. Full article

The combination of the catalytic properties of Al₂O_3/TiO₂ formed an efficient system to degrade the ubiquitous pollutants TPA and PET. The coating (Al₂O₃)_0.75TiO₂ was characterized by X-ray diffraction. Stainless steel disks with photo-catalyst coating were placed transversely in a 3.0 L vertical glass reactor with ascending airflow for supplying oxygen to the reaction medium and visible light lamps for photo-activation. The analysis of the coating homogeneity, morphology and particle size distribution of the TiO₂ coatings and (Al₂O₃)_0.75TiO₂ system were confirmed by SEM. Optical properties and band-gap energy were calculated by using the Tauc equation. UV–Vis spectrophotometry (UV–Vis) and chemical oxygen demand (COD) were the quantitative techniques to measure the reduction in the initial TPA and PET concentrations. Full article

TiO₂ is an abundant material on Earth, essential for the sustainable and cost-effective development of various technologies, with anatase being the most effective polymorph for photocatalytic and photovoltaic applications. Bulk crystalline anatase TiO₂ exhibits a band gap energy E_gA = 3.2 eV, for tetragonal lattice parameters a_A = 0.3785 nm and c_A = 0.9514 nm, but these characteristics vary for amorphous or polycrystalline thin films. Reactive magnetron sputtering has proven suitable for the preparation of TiO₂ coatings on glass fiber substrates, with structural and optical characteristics that change during growth. Below a minimum thickness (t < 0.2 μm), the films have an amorphous nature or extremely small crystallite sizes not observable by X-ray diffraction. Afterwards, compressed quasi-randomly orientated crystallites are detected (volume strain ΔV = −0.02 and stress σ_V = −3.5 GPa for t = 0.2 μm) that evolve into relaxed and preferentially (004) orientated crystallites, reaching the standard anatase values at t ~ 1.4 μm with σ_V = 0.0 GPa. The band gap energy increases with lattice distortion according to the relation ∆E_g (eV) = −6∆V, and a further increase is observed for the thinnest coatings (∆E_g = 0.24 eV for t = 0.05 μm). Full article