Characterization of NiCuOxNy Coatings Obtained via RF Sputtering: Structure, Morphology, and Optical Properties.

The rapid advancement of technology necessitates the continual development of versatile materials that can adapt to new electronic devices. Rare earth elements, which are scarce in nature, possess the set of properties required for use as semiconductors. Consequently, this research aims to achieve similar properties using materials that are abundant in nature and have a low commercial cost. To this end, nickel and copper were utilized to synthesize thin films of nickel-copper binary oxynitride via reactive RF sputtering. The influence of nitrogen flow on the structure, morphology, chemical composition, and optical properties of the films was investigated using various characterization techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS), as well as transmittance and absorbance measurements. The crystalline structure of the films shows that they can have preferential growth or be polycrystalline according to the nitrogen flow used during deposition and that both the oxides and oxynitrides of metals are formed. We identified unknown phases specific to this material, termed "NiCuOxNy". The morphology revealed that the grain size of the coatings was dependent on the nitrogen flow rate, with grain size decreasing as the nitrogen flow rate increased. Notably, the coatings demonstrated transparency for wavelengths exceeding 1000 nm, with an optical band gap ranging from 1.21 to 1.86 eV.

Effects of isotropic stress on the band structure elastic, optical, thermal, and x-ray diffraction properties of TiSnO3.

BACKGROUND: Cubic perovskite titanium stannous oxide (TiSnO3) is a promising material for various applications due to its functional properties. However, understanding how these properties change under external stress is crucial for its development and optimization. METHOD: This study employed density functional theory calculations to investigate the structural, electronic, optical, thermal, and mechanical properties of TiSnO3 under varying degrees of external static isotropic stress (0-120 GPa). RESULTS: The study reveals a significant decrease in the bandgap of TiSnO3 with increasing stress due to lattice modifications and the formation of delocalized electrons. Partial density of states analysis indicates that Sn and O states play a key role in shaping the electronic band structure. TiSnO3 exhibits increased light absorption with stress, accompanied by a blue shift in absorption peaks, whereas, both polarizability and refractive index decrease with increasing stress. Mechanically, all elastic moduli (bulk, shear, and Young's) show an increase under stress, signifying a stiffening response of the material under stress. Similarly, the Pugh ratio suggests a transition from ductile to brittle behaviour at elevated stress levels. Phonon dispersion calculations indicate the instability of the cubic phase at 0 K. However, a phonon gap emerges at 30 GPa and widens with increasing stress. X-ray diffraction further supports these findings by demonstrating a shift in diffraction peaks towards higher angles with increasing stress, consistent with the applied stress. CONCLUSION: In conclusion, this computational study offers a thorough understanding of how external stress influences the properties of TiSnO3, providing valuable insights for potential applications in various fields.

Molecular self-assembled helix peptide nanotubes based on some amino acid molecules and their dipeptides: molecular modeling studies.

CONTEXT: The paper considers the features of the structure and dipole moments of several amino acids and their dipeptides which play an important role in the formation of the peptide nanotubes based on them. The influence of the features of their chirality (left L and right D) and the alpha-helix conformations of amino acids are taken into account. In particular, amino acids with aromatic rings, such as phenylalanine (Phe/F), and branched-chain amino acids (BCAAs)-leucine (Leu/L) and isoleucine (Ile/I)-as well as corresponding dipeptides (diphenylalanine (FF), dileucine (LL), and diisoleucine (II)) are considered. The main features and properties of these dipeptide structures and peptide nanotubes (PNTs), based on them, are investigated using computational molecular modeling and quantum-chemical semi-empirical calculations. Their polar, piezoelectric, and photoelectronic properties and features are studied in detail. The results of calculations of dipole moments and polarization, as well as piezoelectric coefficients and band gap width, for different types of helical peptide nanotubes are presented. The calculated values of the chirality indices of various nanotubes are given, depending on the chirality of the initial dipeptides-the results obtained are consistent with the law of changes in the type of chirality as the hierarchy of molecular structures becomes more complex. The influence of water molecules in the internal cavity of nanotubes on their physical properties is estimated. A comparison of the results of these calculations by various computational methods with the available experimental data is presented and discussed. METHOD: The main tool for molecular modeling of all studied nanostructures in this work was the HyperChem 8.01 software package. The main approach used here is the Hartree-Fock (HF) self-consistent field (SCF) with various quantum-chemical semi-empirical methods (AM1, PM3, RM1) in the restricted Hartree-Fock (RHF) and in the unrestricted Hartree-Fock (UHF) approximations. Optimization of molecular systems and the search for their optimal geometry is carried out in this work using the Polak-Ribeire algorithm (conjugate gradient method), which determines the optimized geometry at the point of their minimum total energy. For such optimized structures, dipole moments D and electronic energy levels (such as EHOMO and ELUMO), as well as the band gap Eg = ELUMO - EHOMO, were then calculated. For each optimized molecular structure, the volume was calculated using the QSAR program implemented also in the HyperChem software package.

Improving FAPbBr3 Perovskite Crystal Quality via Additive Engineering for High Voltage Solar Cell over 1.5 V.

Lead bromide-based perovskites are promising materials as the top cells of tandem solar cells and for application in various fields requiring high voltages owing to their wide band gaps and excellent environmental resistances. However, several factors, such as the formation of bulk and surface defects, impede the performances of corresponding devices, thereby limiting the efficiencies of these devices as single-junction devices. To reduce the number of defect sites, urea is added to the formamidinium lead bromide (FAPbBr3) perovskite material to increase its grain size. Nevertheless, urea undesirably reacts with lead(II) bromide (PbBr2) in the perovskite structure, creating unfavorable impurities in the device. To solve this problem, herein, in addition to urea, we introduced formamidinium chloride (FACl) into FAPbBr3. Owing to the synergistic effect of urea and FACl, the FAPbBr3 film quality effectively improved due to suppression of the generation of impurities and stabilization of film crystallinity. Consequently, the FAPbBr3 single-junction solar cell constructed using FACl and urea as additives demonstrated a power conversion efficiency of 9.6% and an open-circuit voltage of 1.516 V with negligible hysteresis. This study provides new insights into the use of additive engineering for overcoming the energy losses caused by defects in perovskite films.

Study of Concentration Quenching and Energy Transfer Mechanism in Ce Doped Y2O3 Nanomaterials.

We study concentration quenching and energy transfer mechanisms of yttrium oxide (Y2O3) nanomaterials doped with different concentrations (0-5 mol%) of cerium (Ce). Photoluminescence (PL) spectra recorded under an excitation wavelength of 350 nm show a broad emission band at ∼ 406 nm and a feeble emission band at ∼ 463 nm in the undoped Y2O3 sample. The doping of Ce in Y2O3 induced multiple PL peaks within the blue-green region of the spectrum in all the doped samples with the peak at ∼ 466 nm being notably the prominent one. This prominent emission band exhibits a decrease in intensity with increasing Ce concentration due to concentration quenching. Analysis of Time-resolved photoluminescence (TRPL) spectra reveal that the average emission lifetime of Ce-doped Y2O3 is shorter than that of the undoped Y2O3 sample. The concentration quenching effect and the decrease of average emission lifetime of the dominant emission band are explained on the basis of energy transfer from the host Y2O3 to the Ce3+ ion centres. The critical quenching concentration of Ce3+ ion in Y2O3:Ce phosphor was identified to be 1 mol% and the critical transfer distance was estimated to be 23.74 Å. Analysis reveal that the concentration quenching mechanism involves nearest-neighbour interaction.

Hierarchical Solid-Additive Strategy for Achieving Layer-by-Layer Organic Solar Cells with Over 19% Efficiency.

Layer-by-layer (LbL) deposition of active layers in organic solar cells (OSCs) offers immense potential for optimizing performance through precise tailoring of each layer. However, achieving high-performance LbL OSCs with distinct solid additives in each layer remains challenging. In this study, we explore a novel approach that strategically incorporates different solid additives into specific layers of LbL devices. To this end, we introduce FeCl3 into the lower donor (D18) layer as a p-type dopant to enhance hole concentration and mobility. Concurrently, we incorporate the wide-bandgap conjugated polymer poly(9,9-di-n-octylfluorenyl-2,7-diyl) (PFO) into the upper acceptor (L8-BO) layer to improve the morphology and prolong exciton lifetime. Unlike previous studies, our approach combines these two strategies to achieve higher and more balanced electron and hole mobility without affecting device open-circuit voltage, while also suppressing charge recombination. Consequently, the power conversion efficiency (PCE) of the D18+FeCl3/L8-BO device increases to 18.12%, while the D18/L8-BO+PFO device attains a PCE of 18.79%. These values represent substantial improvements over the control device's PCE of 17.59%. Notably, when both FeCl3 and PFO are incorporated, the D18+FeCl3/L8-BO+PFO device achieves a remarkable PCE of 19.17%. In summary, our research results demonstrate the effectiveness of the layered solid additive strategy in improving OSC performance.

Enhancement of Light Efficiency of Deep-Ultraviolet Light-Emitting Diodes by Encapsulation with a 3D Photonic Crystal Reflecting Layer.

Recently, UVC LEDs, which emit deep ultraviolet light, have found extensive applications across various fields. This study demonstrates the design and implementation of thin films of three-dimensional photonic crystals (3D PhCs) as reflectors to enhance the light output power (LOP) of UVC LEDs. The 3D PhC reflectors were prepared using the self-assembly of silica nanospheres on a UVC LED lead frame substrate via the evaporation-induced method (side) and the gravitational sedimentation method (bottom), respectively. These PhCs with the (111) crystallographic plane were deposited on the side wall and bottom of the UVC LED lead frame, acting as functional materials to reflect UVC light. The LOP of UVC LEDs with 3D PhC reflectors at a driving current of 100 mA reached 19.6 mW. This represented a 30% enhancement compared to commercial UVC LEDs with Au-plated reflectors, due to the UVC light reflection by the photonic band gaps of 3D PhCs in the (111) crystallographic plane. Furthermore, after aging tests at 60 °C and 60% relative humidity for 1000 h, the relative LOP of UVC LEDs with 3D PhC reflectors decreased by 7%, which is better than that of commercial UVC LEDs. Thus, this study offers potential methods for enhancing the light output efficiency of commercial UVC light-emitting devices.

All Screen Printed and Flexible Silicon Carbide NTC Thermistors for Temperature Sensing Applications.

In this study, Silicon Carbide (SiC) nanoparticle-based serigraphic printing inks were formulated to fabricate highly sensitive and wide temperature range printed thermistors. Inter-digitated electrodes (IDEs) were screen printed onto Kapton® substrate using commercially avaiable silver ink. Thermistor inks with different weight ratios of SiC nanoparticles were printed atop the IDE structures to form fully printed thermistors. The thermistors were tested over a wide temperature range form 25 °C to 170 °C, exhibiting excellent repeatability and stability over 15 h of continuous operation. Optimal device performance was achieved with 30 wt.% SiC-polyimide ink. We report highly sensitive devices with a TCR of -0.556%/°C, a thermal coefficient of 502 K (ß-index) and an activation energy of 0.08 eV. Further, the thermistor demonstrates an accuracy of ±1.35 °C, which is well within the range offered by commercially available high sensitivity thermistors. SiC thermistors exhibit a small 6.5% drift due to changes in relative humidity between 10 and 90%RH and a 4.2% drift in baseline resistance after 100 cycles of aggressive bend testing at a 40° angle. The use of commercially available low-cost materials, simplicity of design and fabrication techniques coupled with the chemical inertness of the Kapton® substrate and SiC nanoparticles paves the way to use all-printed SiC thermistors towards a wide range of applications where temperature monitoring is vital for optimal system performance.

Experimental and Theoretical Investigations of Direct and Indirect Band Gaps of WSe2.

Low-dimension materials such as transition metal dichalcogenides (TMDCs) have received extensive research interest and investigation for electronic and optoelectronic applications. Due to their unique widely tunable band structures, they are good candidates for next-generation optoelectronic devices. Particularly, their photoluminescence properties, which are fundamental for optoelectronic applications, are highly sensitive to the nature of the band gap. Monolayer TMDCs in the room temperature range have presented a direct band gap behavior and bright photoluminescence. In this work, we investigate a popular TMDC material WSe2's photoluminescence performance using a Raman spectroscopy laser with temperature dependence. With temperature variation, the lattice constant and the band gap change dramatically, and thus the photoluminescence spectra are changed. By checking the photoluminescence spectra at different temperatures, we are able to reveal the nature of direct-to-indirect band gap in monolayer WSe2. We also implemented density function theory (DFT) simulations to computationally investigate the band gap of WSe2 to provide comprehensive evidence and confirm the experimental results. Our study suggests that monolayer WSe2 is at the transition boundary between the indirect and direct band gap at room temperature. This result provides insights into temperature-dependent optical transition in monolayer WSe2 for quantum control, and is important for cultivating the potential of monolayer WSe2 in thermally tunable optoelectronic devices operating at room temperature.

In Situ Electrochemical Cobalt Doping in Perovskite-Structured Lanthanum Nickelate Thin Film Toward Energy Conversion Enhancement of Polymer Solar Cells.

This study demonstrates that the electrochemical doping of lanthanum nickelate (LNO) with cobalt ions is a promising strategy for enhancing its physical and electrochemical properties, which are critical for energy storage and conversion devices. LNO emerges as a promising hole transport layer (HTL) in solar cells due to its stability, large band gap, and high transparency. Nevertheless, its low conductivity and improperly aligned band positions are persistent problems. Here, in a pioneering endeavor, Co-doped LNO thin films were synthesized electrochemically and applied as the HTL in polymer solar cells (PSCs). Characterization revealed the impact of Co doping on the electrochemical, structural, morphological, and optical properties of LNO thin films. Depending on the Co doping level, PSCs based on 10 mol % Co-doped LNO outperformed pure LNO, achieving a champion efficiency of 6.11% with enhanced short-circuit current density (12.84 mA cm-2), fill factor (68%), open-circuit voltage (0.70 V), and external quantum efficiency (82.6%). This enhancement resulted from decreased series resistance, refined surface morphology, minimized trap-assisted recombination, enhanced conductivity, increased charge carrier production, favorable energy level alignment, and improved current extraction facilitated by LNC0.10O HTL. Moreover, the unencapsulated PSC-LNC0.10O long-term stability notably improved and retained 86% of its initial PCE after 450 h storage in ambient air, 82% after being continuously heated to 85 °C for 300 h, and 80% after operating at maximum power point for 300 h. These findings offer a straightforward approach to enhancing PSC performance through Co doping of LNO, supported by density functional theory (DFT) calculations that validate the experimental results and confirm the improvement in optical properties and stability of PSCs as an HTL.

Charged Black-Hole-Like Electronic Structure Driven by Geometric Potential of 2D Semiconductors.

One of the exotic expectations in the 2D curved spacetime is the geometric potential from the curvature of the 2D space, still possessing unsolved fundamental questions through Dirac quantization. The atomically thin 2D materials are promising for the realization of the geometric potential, but the geometric potential in 2D materials is not identified experimentally. Here, the curvature-induced ring-patterned bound states are observed in structurally deformed 2D semiconductors and formulated the modified geometric potential for the curvature effect, which demonstrates the ring-shape bound states with angular momentum. The formulated modified geometric potential is analogous to the effective potential of a rotating charged black hole. Density functional theory and tight-binding calculations are performed, which quantitatively agree well with the results of the modified geometric potential. The modified geometric potential is described by modified Gaussian and mean curvatures, corresponding to the curvature-induced changes in spin-orbit interaction and band gap, respectively. Even for complex structural deformation, the geometric potential solves the complexity, which aligns well with experimental results. The understanding of the modified geometric potential provides us with an intuitive clue for quantum transport and a key factor for new quantum applications such as valleytronics, spintronics, and straintronics in 2D semiconductors.

One-pot synthesis of g-C3N4/N-doped CeO2 nanocomposites and their potential visible light-driven photocatalytic degradation of methylene blue dye.

In the pursuit of efficient photocatalytic materials for environmental applications, a new series of g-C3N4/N-doped CeO2 nanocomposites (g-C3N4/N-CeO2 NCs) was synthesized using a straightforward dispersion method. These nanocomposites were systematically characterized to understand their structural, optical, and chemical properties. The photocatalytic performance of g-C3N4/N-CeO2 NCs was evaluated by investigating their ability to degrade methylene blue (MB) dye, a model organic pollutant. The results demonstrate that the integration of g-C3N4 with N-doped CeO2 NCs reduces the optical energy gap compared to pristine N-doped CeO2, leading to enhanced photocatalytic efficiency. It is benefited from the existence of g-C3N4/N-CeO2 NCs not only in promoting the charge separation and inhibits the fast charge recombination but also in improving photocatalytic oxidation performance. Hence, this study highlights the potential of g-C3N4/N-CeO2 NCs as promising candidates for various photocatalytic applications, contributing to the advancement of sustainable environmental remediation technologies.

Electronic Transport Modulation in Ultrastrained Silicon Nanowire Devices.

In this work, we explore the effect of ultrahigh tensile strain on electrical transport properties of silicon. By integrating vapor-liquid-solid-grown nanowires into a micromechanical straining device, we demonstrate uniaxial tensile strain levels up to 9.5%. Thereby the triply degenerated phonon dispersion relation at the Γ-point of silicon disentangle and the longitudinal phonon modes are used to precisely determine the extent of mechanical strain. Simultaneous electrical transport measurements showed a significant enhancement in the electrical conductance. Aside from considerable reduction of the Si bulk resistivity due to strain-induced band gap narrowing, comparison with quasi-particle GW calculations further reveals that the effective Schottky barrier height at the electrical contacts undergoes a substantial reduction. For these reasons, nanowire devices with ultrastrained channels may be promising candidates for future applications of high-performance silicon-based devices.

Understanding of Defect Passivation Effect on Wide Band Gap p-i-n Perovskite Solar Cell.

The wide band gap perovskite solar cells (PSCs) have attracted considerable attention for their great potential as top cells in high efficiency tandem cell application. However, the photovoltaic performance and stability of PSCs are constrained by nonradiative recombination, primarily stemming from defects within the bulk and at the interface of charge transport layer/perovskite and phase segregation. In this study, we systematically investigated the effects of 2-thiopheneethylammonium chloride (TEACl) on a wide band gap (∼1.67 eV) Cs0.15FA0.65MA0.20Pb(I0.8Br0.2)3 (CsFAMA) perovskite solar cell. TEACl was employed as a passivation layer between the perovskite and electron transport layer (ETL). With TEACl treatment, charged defects responsible for sub-band absorption and electrostatic potential fluctuation were effectively suppressed by the passivation of bulk defects. The incorporation of TEACl, which led to the formation of a TEA2PbX4/Perovskite (2D/3D) heterojunction, facilitated better band alignment and effective passivation of interface defects at the ETL/CsFAMA. Owing to these beneficial effects, the TEACl passivated PSC achieved a photo conversion efficiency (PCE) of 19.70% and retained ∼85% of initial PCE over ∼1900 h, surpassing the performance of the untreated PSC, which exhibited a PCE of 16.69% and retained only ∼37% of its initial PCE.

Mg/S@g-C3N4 nanosheets: A promising fluorescence sensor for selective Cu2+ detection in water.

This work describes the development of a novel fluorescence sensor based on magnesium/S@g-C3N4 nanosheets for selective detection of copper (Cu2+) ions in water. Mg/S@g-C3N4 nanosheets were prepared by the polycondensation technique and investigated by X-ray diffraction (XRD), ATR-FTIR spectroscopy, scanning electron microscopy (SEM), surface area (BET), and UV-Vis optical absorption measurements. XRD and ATR-FTIR analysis showed the characteristic peaks for S@g-C3N4. The broad full width at half maximum (0.056 radians) implies a smaller crystallite size, representing smaller Mg/S@g-C3N4 sheets. SEM micrograph showed non-exfoliated nanosheets with flake-like structures. The EDS mapping confirmed the presence of magnesium, carbon, nitrogen, and sulfur throughout the nanosheets. The Mg/S@g-C3N4 nanosheets possess a high surface area of 40 m2/g and mesopores within the nanosheets, with a size of 1.57 nm. The band gap of the Mg/S@g-C3N4 nanosheet was estimated to be 3.0 eV. The sensor exhibits a strong quenching response towards Cu2+ ions, with a decrease in fluorescence intensity as the concentration of Cu2+ increased from 1 µM to 20 µM. The Stern-Volmer quenching constant (KSV) showed a relatively high value of 185053 M-1. The estimated value of LOD by the Mg/S@g-C3N4 sensor for Cu2+ was 16.2 nM. The sensor offered high sensitivity and selectivity for Cu2+ detection over other heavy metals.

Preparation of thiourea derivative incorporated Ag3PO4 core shell for enhancement of photocatalytic degradation performance of organic dye under visible radiation light.

Photocatalysis is a promising technique to reduce hazardous organic pollutants using semiconductors under visible light. However, previous studies have been concerned with the behavior of silver phosphate (Ag3PO4) as n-type semiconductors, and the problem of their instability is still under investigation. Herein, 4,4'-(((oxalylbis(azanediyl)) bis(carbonothioyl)) bis(azanediyl)) dibenzoic acid is synthesized by green method and used to enhance the photocatalytic behavior for Ag3PO4. The incorporated Ag3PO4 core-shell is prepared and characterized via XRD, FT-IR, Raman, TEM and BET. Besides, the thermal stability of the prepared core shell was investigated via TGA and DSC measurements. The optical properties and the energy band gap are determined using photoluminescence and DRS measurements. The photodegradation of methylene blue in the presence of the synthesized Ag3PO4 core-shell under visible light is examined using UV/Vis measurements. The effect of initial dye concentration and contact time are studied. In addition, the kinetic behavior of the selected dye during the photodegradation process shows a pseudo-first order reaction with rate constant of 0.015 min-1 for ZAg. The reusability of the Ag3PO4 core shell is evaluated, and the efficiency changed from 96.76 to 94.02% after three cycles, indicating efficient photocatalytic behavior with excellent stability.

Influence of One-Dimensional Photonic Crystal on Raman Signal Enhancement: A Detailed Experimental Study.

The enhancement of Raman signals using photonic crystal structures has been the subject of numerous experimental and theoretical studies, leading to a variety of issues and inconsistencies. This paper presents a comprehensive experimental investigation into the impact of alignment between the laser excitation wavelength and the specific position of the photonic band gap on signal enhancement in Raman spectroscopy. By employing one-dimensional (1D) porous silicon photonic crystals, a systematic analysis across a large number of spectra was conducted. The study focused on examining the signal enhancement of both the Raman ∼520 cm-1 silicon band, representing the constituent material of photonic crystal, and the most prominent Raman bands of crystal violet, used as a probe molecule. The probe molecules were both infiltrated into and adsorbed on top of the photonic crystal structure. The obtained experimental results for the contribution of 1D photonic crystals to Raman signal enhancement are much smaller compared to most predictions. The Raman signal of silicon and the signal from the probe molecule are enhanced ≤2.5 times when the laser excitation aligns with the edge of the photonic band gap, strictly defined as the position at the very bottom of the reflectance peak. The results have been discussed within the context of theoretical explanations.

Design and simulation investigations on charge transport layers-free in lead-free three absorber layer all-perovskite solar cells.

The multiple absorber layer perovskite solar cells (PSCs) with charge transport layers-free (CTLs-free) have drawn widespread research interest due to their simplified architecture and promising photoelectric characteristics. Under the circumstances, the novel design of CTLs-free inversion PSCs with stable and nontoxic three absorber layers (triple Cs3Bi2I9, single MASnI3, double Cs2TiBr6) as optical-harvester has been numerically simulated by utilizing wxAMPS simulation software and achieved high power conversion efficiency (PCE) of 14.8834%. This is owing to the innovative architecture of PSCs favors efficient transport and extraction of more holes and the slender band gap MASnI3 extends the absorption spectrum to the near-infrared periphery compared with the two absorber layers architecture of PSCs. Moreover, the performance of the device with p-type-Cs3Bi2I9/p-type-MASnI3/n-type-Cs2TiBr6 architecture is superior to the one with the p-type-Cs3Bi2I9/n-type-MASnI3/n-type-Cs2TiBr6 architecture due to less carrier recombination and higher carrier life time inside the absorber layers. The simulation results reveal that Cs2TiF6 double perovskite material stands out as the best alternative. Additionally, an excellent PCE of 21.4530% can be obtained with the thicker MASnI3 absorber layer thickness (0.4 µm). Lastly, the highest-performance photovoltaic devices (28.6193%) can be created with the optimized perovskite doping density of around E15 cm3 (Cs3Bi2I9), E18 cm3 (MASnI3), and 1.5E19 cm3 (Cs2TiBr6). This work manifests that the proposed CTLs-free PSCs with multi-absorber layers shall be a relevant reference for forward applications in electro-optical and optoelectronic devices.

Green Synthesis of Highly Fluorescent NCQDs: A Comprehensive Study on Synthesis, Characterization, Photophysical Properties, pH Sensing, Heavy Metal Detection, and Solvatochromic Behavior through Hydrothermal Method.

Solvatochromic studies in conjunction with NCQDs and analysis of material at different pH levels provide valuable insights about the process of metal ion sensing. Metal ion sensing holds significant importance in various fields like environment monitoring, biomedical diagnostics and various industrial purpose. The detection of metal ions by mixing the nitrogen-doped quantum dots (NCQDs) in the solvent at different pH levels for the analysis of the photoluminescence spectra is the unique property to achieve selective metal ion detection. In present study, the synthesis of NCQDs was performed by the use of flowers of Tecoma stans. The synthesis of NCQDs to best of our knowledge using flowers of Tecoma stans as natural carbon source via hydrothermal process has been done for the first time. The NCQDs exhibit absorption bands ranging from 190 to 450 nm, with the energy band gap varying from 3.55 to 5.42 eV when mixed with different solvent such as, 1-4 dioxane, acetone, acetonitrile, ethyl- acetate, ethanol, methanol and toluene. The fluorescence spectra exhibited highly intense range from approximately 390 to 680 nm across various solvents. XRD analysis further confirmed the crystalline nature of the particles with an average size of 6.96 nm. Different peak positions of the FTIR spectra support functional groups having C-H stretching, C = O (carbonyl) stretching, and C = C stretching vibrations. In the study a notable solvatochromic shift was observed, indicating sensitivity to change in solvent polarity. Additionally, the investigation of the ratio of ground to excited state dipole moment based on solvatochromic shift yielded a value of 3.30. This provide valuable information about optical and electronic properties of NCQDs. Overall, our study sheds light on the unique properties of NCQDs synthesized from Tecoma stans flowers and their potential applications in metal ion sensing, pH probing, and solvent polarity studies.

The coupled WO3-AgBr nanocatalyst, part II: Synthesis, characterization, and the boosted photocatalytic activity towards metronidazole in an aqueous solution.

The AgBr and WO3 nanoparticles (NPs) were synthesized and coupled, and the coupled AgBr-WO3 binary catalyst, as well as the individual AgBr and WO3 NPs, were then characterized by XRD, FTIR, DRS, and SEM-EDX. XRD results showed the formation of orthorhombic WO3 cubic AgBr crystals. The crystallite sizes of 45, 28, and 45 nm were estimated by the Scherrer formula for the as-prepared AgBr, WO3, and AgBr-WO3 catalysts, respectively. The DRS study estimated band gap energies using both absorption edge wavelengths and the Kubelka-Munk model. The band gap energies of 2.72, 3.06, and 2.92 eV were obtained for the direct electronic transitions of AgBr, WO3, and AgBr-WO3. The ECB (potential position) of AgBr and WO3 were estimated to be 0.01 and 0.52 V, while their EVB values were 2.60 and 3.55 V, respectively. Typical FTIR absorption bands of W‒OH, the W‒O‒W, and AgBr bonds have appeared at 1637 cm-1, 823 (and 766) cm-1, and 1384 cm-1, respectively. The pHpzc of 4 was estimated for the individual and coupled catalysts. In studying the photocatalytic activity of the catalysts in the photodegradation of metronidazole (MNZ) a boosted activity was achieved for the coupled system. This increased activity depends on the maximum AgBr:WO3 mole ratio in a 1:3 mol ratio. Grinding time applied to prepare the coupled catalyst has also varied the photocatalytic activity.