Search Results (216)

The combination of polypyrrole (PPy) with graphene has attracted extensive attention as a nonlinear optical material with various optoelectronic applications. Here, we describe the development of PPy nanoplates prepared using a simple spin-coating method. The appropriate volume of the dropped PPy solution was determined to be 50 drops by comparing the surface morphologies, chain structures, elementary compositions, and optical properties of PPy saturable absorbers (SAs). The hybrid PPy/graphene heterostructure SA was obtained using the wet transfer process of a graphene layer. This approach led to significant improvements in optical properties, including a ~7.2% increase in linear optical absorption, a 2.5-fold increase in modulation depth, and a third decrease in saturable intensity at 1550 nm due to the additional optical absorption and the π-π interaction between PPy nanoplates and the graphene layer. By inserting the PPy/graphene heterostructure SA into the passively mode-locked fiber laser cavity, 1559 nm ultrashort laser pulses were generated, with an average output power of 1.24 mW, a 815 fs pulse width, and a repetition frequency of 3.26 MHz. Our experimental results demonstrate that the prepared PPy SA has excellent nonlinear optical characteristics, providing a new opportunity for the generation of ultrashort laser pulses. Full article

This theoretical work investigates the linear (absorption and emission) and nonlinear (first hyperpolarizability and TPA) optical properties of donor–$\pi$–acceptor (D–$\pi$–A) molecular architectures based on functionalized benzoxazoles, with potential applications in optoelectronic technologies such as OLEDs and solar cells. Four $\pi$-conjugated compounds were studied in the gas phase and in polar (methanol) and nonpolar (toluene) solvents, employing DFT with the B3LYP and CAM-B3LYP functionals and the 6-311++G(d,p) basis set, as implemented in Gaussian and Dalton. The results reveal that the chemical environment induces spectral shifts and modulates the intensity of electronic transitions. In particular, the compound 2-((4-((5-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)amino)phenyl)methyl)-1,3-benzoxazole exhibited outstanding behavior in methanol, with a significant increase in dipole moment, polarizability, and first hyperpolarizability (static and dynamic at 1064 nm), reaching a TPA cross-section close to 150 GM. These findings highlight the key role of ionic substituents in tuning the optical response of $\pi$-conjugated systems and underscore their potential as functional materials for high-performance light-emitting and energy-conversion devices. Full article

This study presents the electrical and optical properties of 35P₂O₅–xV₂O₅–(65–x) Sb₂O₃ glasses for 0 ≤ x ≤ 65 mol%. The direct current (DC) resistivity was measured by the Van der Pauw method and optical absorption spectra were taken in the Ultraviolet–Visible-Near-Infrared (UV–VIS–NIR) range. Electrical transport is attributed to simultaneous hopping of small polarons (SPs) between V⁴⁺ and V⁵⁺ (vanadium ion) sites and small bipolarons (SBPs) between the Sb³⁺ and Sb⁵⁺ (antimony ion) sites. The resistivity exhibits a non-linear dependence on the ionic fraction of vanadium (n_v), whereas the resistivity exhibits a minimum in the composition range 0 ≤ n_V ≤ 0.3, and a resistivity maximum was observed in the range 0.3 ≤ n_V ≤ 0.5. On further increasing n_v, the resistivity exhibits a monotonic decline. In the composition range 0 ≤ n_V ≤ 0.3, where the hopping distance between V ions decreases, while that between the Sb ions increases, the resistivity minimum has been shown to be the consequence of decreasing tunneling distance of SPs between the V⁴⁺ and V⁵⁺ ion sites. In the composition range 0.3 ≤ n_V ≤ 0.5, the resistivity, activation energy for DC conduction, glass transition temperature, and density exhibit their respective maxima even though the separation between the V⁴⁺ and V⁵⁺ sites continues to decrease. This feature is explained by enhanced localization of electrons on account of increased disorder (entropy) among the SPs and SBPs, like that of Anderson localization. This argument is further supported by a shift in the polaronic optical absorption bands associated with the SPs and SBPs toward higher energies. The transport behavior of all the glasses except the x = 0 composition has been explained by adiabatic transport, principally, by the SPs on V ions while the Sb ions contribute little to the total transport process. The results provide a clear relation between composition, polaron/bipolaron contributions, and conduction in these glasses. Full article

There has been considerable scientific interest in third-order nonlinear optical materials for photonic applications. In particular, materials exhibiting a strong electronic optical Kerr effect serve as essential components in the ultrafast nonlinear photonic devices and are instrumental in the development of all-optical signal processing technologies. Therefore, the accurate prediction of material-relevant properties, such as second hyperpolarizabilities, remains a key topic in the search for efficient photonic materials. However, the field standards in quantum chemical computation are still inconsistent, as studies often lack a firm statistical foundation. This work presents a comprehensive in silico investigation based on multiple full-factorial experiments, aiming to clarify the strengths and limitations of various computational approaches. Our results indicate that the coupled-cluster approach at the CCSD level in its current response-equation implementations is not yet able to outperform the range-separated hybrid density functionals, such as LC-BLYP(0.33). The exceptional performance of the specifically tailored basis set Sadlej-pVTZ is also described. Not only was the presence of diffuse functions found to be mandatory, but also adding ample polarization functions is shown to be inefficient resource-wise. HF/Sadlej-pVTZ is proven to be reliable enough to use in molecular screening. Meta functionals are confirmed to produce poorly consistent results, and specific guidelines for constructing range-separated functionals for polarizability calculations are drawn out. Additionally, it was shown that many of the contemporary solvation models exhibit significant limitations in accurately capturing nonlinear optical properties. Therefore, further refinement in the current methods is pending. This extends to the statistical description as well: the mean absolute deviation descriptor is found to be deficient in rating various computational methods and should rather be replaced with the parameters of the linear correlation (the slope, the intercept, and the R²). Full article

This study investigates the influence of vacancy engineering and nitrogen doping on the structural, electronic, and optical properties of T-graphene fragments (TFs) using density functional theory (DFT) and time-dependent DFT (TD-DFT). A central vacancy and five pyridinic nitrogen doping configurations are explored to modulate the optoelectronic behavior. All systems are thermodynamically stable, exhibiting tunable HOMO–LUMO gaps, orbital distributions, and charge transfer characteristics. Optical absorption spectra show redshifts and enhanced oscillator strengths in doped variants, notably v-NTF2 and v-NTF4. Nonlinear optical (NLO) analysis reveals significant enhancement in both static and frequency-dependent responses. v-NTF2 displays an exceptionally high first-order hyperpolarizability (⟨β⟩ = 1228.05 au), along with a strong electro-optic Pockels effect (β (−ω; ω, 0)) and second harmonic generation (β (−2ω; ω, ω)). Its third-order response, γ (−2ω; ω, ω, 0), also exceeds 1.2 × 10⁵ au under visible excitation. Conceptual DFT descriptors and energy decomposition analysis further supports the observed trends in reactivity, charge delocalization, and stability. These findings demonstrate that strategic nitrogen doping in vacancy-engineered TFs is a powerful route to tailor electronic excitation, optical absorption, and nonlinear susceptibility. The results offer valuable insight into the rational design of next-generation carbon-based materials for optoelectronic, photonic, and NLO device applications. Full article

The design of emulsions at the nanoscale is a significant application of nanotechnology. For spherical droplets and a given volume of dispersed phase, the nanometre size of droplets inversely increases the total area, $A={\displaystyle \frac{3V}{r}}$, allowing greater contact with organic and inorganic materials during application. In topical applications, not only is cell contact increased, but also permeability in the cell membrane. Nanoemulsions typically achieve kinetic stability rather than thermodynamic stability, so their commercial application requires reasonable resistance to flocculation and coalescence, which can be affected by temperature changes. Therefore, their thermoresponsive characterisation becomes relevant. In this work, we analyse this response in an O/W nanoemulsion of Palmarosa for antibacterial purposes that has already shown stability for one year at controlled room temperature. We now study hysteresis processes and the behaviour of the statistical distribution in droplet size by Dynamic Light Scattering, obtaining remarkable stability under temperature changes up to 50 °C. This includes a maintained chemical composition observed using Fourier Transform Infrared Spectroscopy and the preservation of antibacterial properties analysed through optical density tests on cultures and the Spread-Plate technique for bacteria colony counting. We obtain practically closed hysteresis curves for some tracers of droplet size distributions through controlled thermal cycles between 10 °C and 50 °C, exhibiting a non-linear behaviour in their distribution. In general, the results show notable physical, chemical, and antibacterial stability, suitable for commercial applications. Full article

This study investigates the influence of temperature on the linear and nonlinear optical properties of ternary organic thin films for solar cell applications. Three-component organic thin films (poly({4,8-bis[(2-ethylhexyl)oxy]benzo [1,2-b:4,5-b′]dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl] thieno[3,4-b]thiophenediyl}) and (poly([2,6′-4,8-di(5-ethylhexylthienyl)benzo[1,2-b;3,3-b]dithiophene]{3-fluoro-2[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}), marked PTB7 and PTB7th- donors, PCBM, phenyl-C61-butyric acid methyl ester acceptor, and Y5: 2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro[1,2,5]thiadiazolo[3,4e]thieno[2′,3′:4′,5′] thieno[2′,3′:4,5]pyrrolo[3,2-g] thieno[2′,3′:4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(3-oxo-2,3-dihydro1H-indene-2,1-diylidene))dimalononitrile) and Y6 non-fullerene acceptors: (2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13- dihydro-[1,2,5]thiadiazolo[3,4- e] thieno [2,″3″:4′,5′]thieno [2′,3′:4,5]), non-fullerene acceptors, were analyzed using spectroscopic ellipsometry and third-harmonic generation techniques across a temperature range of 30 °C to 120 °C. The absorption spectra of the ternary layers remained largely stable with temperature, but ellipsometry revealed temperature-dependent changes in layer thickness (a few percent increase during heating) and variations in refractive index and extinction coefficients, suggesting modest structural alterations. Analysis using a gradient model indicated that film composition varies with thickness. Third-harmonic generation measurements showed a decrease in χ⁽³⁾ after annealing, with the most significant change observed in the PTB7th:Y5:PCBM layer. Full article

Ex situ machine perfusion has emerged as a pivotal technique for organ preservation and pre-transplant viability assessment, where the real-time monitoring of mitochondrial biomarkers—flavin mononucleotide (FMN) and nicotinamide adenine dinucleotide (NADH)—could significantly mitigate ischemia-reperfusion injury risks. This study develops a non-invasive optical method combining fluorescence and UV-visible spectrophotometry to quantify FMN and NADH in hypothermic oxygenated perfusion media. Calibration curves revealed linear responses for both biomarkers in absorption and fluorescence (FMN: λ_ex = 445 nm, λ_em = 530–540 nm; NADH: λ_ex = 340 nm, λ_em = 465 nm) at concentrations < 100 μg mL⁻¹. However, NADH exhibited nonlinear fluorescence above 100 μg mL⁻¹, requiring shifted excitation to 365 nm for reliable detection. Spectroscopic analysis further demonstrated how perfusion solution composition alters FMN/NADH fluorescence properties, with consistent reproducibility across media. The method’s robustness was validated through comparative studies in clinically relevant solutions, proposing a strategy for precise biomarker quantification without invasive sampling. These findings establish a foundation for real-time, optical biosensor development to enhance organ perfusion monitoring. By bridging spectroscopic principles with clinical needs, this work advances translational sensor technologies for transplant medicine, offering a template for future device integration. Full article

This study investigates the synergistic effects of pulsed heat load and helium plasma irradiation on the surface damage evolution of high-purity tungsten, a candidate plasma-facing material (PFM) for future fusion reactors. Using a self-developed linear plasma device, tungsten samples were exposed to controlled single-pulse heat loads (32–124 MW·m⁻²) and helium plasma fluxes (7.76 × 10²²–2.40 × 10²³ ions·m⁻²·s⁻¹). SEM and XRD analyses revealed a progressive damage mechanism involving helium bubble formation, pit collapse, coral-like nanostructure evolution, and melting-induced restructuring. These surface changes were accompanied by grain refinement, lattice contraction, and peak shifts in the (110) diffraction plane. Mechanical testing showed a flux-dependent variation in hardness, with initial hardening followed by softening due to crack propagation. Surface reflectivity significantly declined with increasing load, indicating severe optical degradation. This work demonstrates the nonlinear coupling between thermal and irradiation effects in tungsten, offering new insights into damage accumulation under realistic reactor conditions. The findings highlight the dominant role of transient heat loads in driving structural and property changes and emphasize the importance of accounting for synergistic effects in material design. These results provide essential experimental data for optimizing PFMs in divertor and first-wall applications and suggest directions for future research into cyclic loading, long-term exposure, and microstructural recovery mechanisms. Full article

This review paper explores the Riccati-type pseudo-potential formulation applied to the quasi-integrable sine-Gordon, KdV, and NLS models. The proposed framework provides a unified methodology for analyzing quasi-integrability properties across various integrable systems, including deformations of the sine-Gordon, Bullough–Dodd, Toda, KdV, pKdV, NLS, and SUSY sine-Gordon models. Key findings include the emergence of infinite towers of anomalous conservation laws within the Riccati-type approach and the identification of exact non-local conservation laws in the linear formulations of deformed models. As modified integrable models play a crucial role in diverse fields of nonlinear physics—such as Bose–Einstein condensation, superconductivity, gravity models, optics, and soliton turbulence—these results may have far-reaching applications. Full article

The optical and radiation shielding of PVA have been enhanced through embedding with ZnO/CuO/SWCNT (ZCS) nanocomposites. ZCS polymeric nanocomposites (PNCs) were prepared with the solution casting method. Scanning electron, optical microscopy and FT-IR procedures were performed to examine the surfaces’ morphology and structures’ modifications. UV–visible measurements were carried out to investigate the linear/nonlinear optical properties. The optical investigations show significant alterations in the optical parameters of PVA due to ZCS embedding. The UV–visible analysis shows that the optical parameters, including the transmittance, energy bandgap, refractive index, dielectric constants and optical conductivity of PVA, are tuned through ZCS embedding. The direct and indirect bandgap of PVA shrank from 5.42 eV and 4.99 eV (neat PVA) to 3.20 eV and 2.26 eV (10 wt.% ZCS PNCs). The nonlinear optical (NLO) constants (first order susceptibility (χ⁽¹⁾), third susceptibility (χ⁽³⁾) and refractive index (n₂)) of PVA were improved. Phy-X/PSD software was used to investigate the radiation shielding parameters of all samples. The linear attenuation coefficient (LAC), mean free path (MFP), half value layer (HVL), tenth value layer (TVL) and effective atomic number (Z_eff) of PVA were enhanced through ZCS embedding. It is found that the mass attenuation coefficient (MAC) of the neat PVA increased from 1.14 cm²/g to 7.96 cm²/g at 0.015 MeV. The HVL of PVA decreased from 30.2 cm to 20.6 cm, the TVL decreased from 100.3 cm to 68.5 cm and the MFP decreased from 43.6 cm to 29.8 cm upon embedding 10 wt.% of ZCS NCs at 15 MeV. The samples’ exposure buildup factor (EBF) and energy absorption buildup factor (EABF) in the photon energy range from 0.015 MeV to 15 MeV at 0.5 to 40 MFP values. This study proves that ZCS PNCs are advantageous for applications in optical and radiation shielding fields. Full article

Bismuth telluride (Bi₂Te₃) has attracted significant attention due to its broadband ultrafast optical response and strong nonlinearity at high laser fluence in the field of optoelectronic materials. The objective of this work is to study the effect of Al doping on the structure, linear optical properties, and nonlinear optical absorption behavior of Bi₂Te₃ thin films. The amorphous Al-doped Bi₂Te₃ thin films with varying Al doping concentrations were prepared using magnetron co-sputtering. The structure and linear optical properties were characterized using X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, spectroscopic ellipsometry, and UV/Vis/NIR spectrophotometry. The third-order nonlinear optical absorption properties of Al: Bi₂Te₃ thin films were investigated using the open-aperture Z-scan system with a 100 fs laser pulse width at a wavelength of 800 nm and a repetition rate of 1 kHz. The results indicate that Al dopant reduces both the refractive index and extinction coefficient and induces a redshift in the optical bandgap. The optical properties of the films can be effectively modulated by varying the Al doping concentration. Compared with undoped Bi₂Te₃ thin films, Al-doped Bi₂Te₃ thin films exhibit larger nonlinear optical absorption coefficients and higher damage thresholds and maintaining high transmittance. These findings provide experimental evidence and a reliable approach for the further optimization and design of ultrafast nonlinear optical devices. Full article

This study details the manufacture of vanadium-doped ZnS thin films via a cost-effective spray pyrolysis technique at varying concentrations of vanadium (4, 8, and 12 wt.%). The XRD data demonstrate the hexagonal structure of the vanadium-doped ZnS layers. The analysis of their structural properties indicates that the crystallite size (D) of the vanadium-doped ZnS films decreased as the vanadium concentration rose. The strain and dislocation density of the analyzed films were enhanced by increasing the vanadium content from 4 to 12 wt.%. The linear optical results of the vanadium-doped ZnS films revealed that the refractive index values were improved from 2.31 to 3.49 by increasing the vanadium concentration in the analyzed samples. Further, the rise in vanadium content enhanced the absorption coefficient. The energy gap (Eg) study indicates that the vanadium-doped ZnS films exhibited direct optical transitions, with the Eg values diminishing from 3.74 to 3.15 eV as the vanadium concentration increased. The optoelectrical analysis shows that the rise in vanadium concentration increases the dispersion energy from 9.48 to 12.76 eV and reduces the oscillator energy from 3.69 to 2.17 eV. The optical carrier concentration of these layers was improved from 1.49 × 1053 to 2.15 × 1053, while the plasma frequency was decreased from 4.34 × 1013 to 3.67 × 1013 by boosting the vanadium concentration from 4 to 12 wt.%. Simultaneously, the increase in vanadium content improves the nonlinear optical parameters of the vanadium-doped ZnS films. The hot probe method identifies these samples as n-type semiconductors. The findings suggest that these samples serve as an innovative window layer. Full article

Any calculation of thin film optical spectra requires the formulation of certain model assumptions. In general, those model assumptions concern geometrical features as well as material properties. We review important facets of the thin film optics’ “standard model” that provides the basis of generally accepted relevant modern spectra calculation routines. Moreover, we discuss phenomena arising when certain model assumptions are violated. Examples are provided by the Goos–Hänchen shift, the polarization leakage, interaction with partially coherent light, rough surfaces, as well as the emergence of thickness-dependent, time-dependent, or non-linear optical material parameters. Corresponding challenges in coating characterization and design are discussed, and future prospects are identified. Full article

A series of single-walled carbon nanotube/titanium dioxide (SWCNTs/TiO₂) composites were prepared by the incorporation of various concentrations (0, 5, 10, 20 V.%) of SWCNTs in TiO₂. The prepared solutions were successfully formed on silicon and quartz substrates using the sol–gel spin-coating approach at 600 °C in ambient air. The X-ray diffraction method was used to investigate the structure of the samples. The absorbance and transmittance data of the samples were measured using a UV–vis spectrophotometer. Through the analysis of these data, both the linear and nonlinear optical properties of the samples were examined. Wemple–DiDomenico’s single-oscillator model was used to calculate the single-oscillator energy and dispersion energy. Finally, all samples’ photocatalytic performance was studied by the photodegradation of methylene blue (MB) in an aqueous solution under UV irradiation. It is found that the photocatalytic efficiency increases when increasing the SWCNT content. This research offers a new perspective for the creation of new photocatalysts for environmental applications. Full article