Search Results (111)

The pressure response and structural stability of fluoranthene crystals up to 8 GPa are investigated using Raman spectroscopy. The vast majority of the Raman peaks upshift with pressure, either sublinearly (intermolecular modes) or quasilinearly (intramolecular modes), reflecting the bond hardening upon volume contraction. The frequency shifts, accompanied by intensity redistribution among the Raman peaks, are by far larger for the former than those for the latter vibrations, compatible with their nature: weak intermolecular van der Waals interactions and strong intramolecular covalent bonds. For pressures higher than 2 GPa, changes in the linear pressure coefficients of the Raman peak frequencies, mainly towards lower values, are observed. These are more pronounced for intermolecular and C–H stretching vibrations. For P > 4.7 GPa, the pressure coefficients are further reduced, while all the observed pressure-induced changes are fully reversible upon pressure release. These changes may be interpreted either as two structural transitions at ~2 and ~4.7 GPa or as a single, but sluggish, structural phase transition in the pressure range 2–4.7 GPa, featuring the reorientation and different stacking of the molecules. From the high-pressure Raman data in the low-pressure phase, a bulk modulus of ~7 GPa at ambient pressure is estimated for solid fluoranthene. Full article

This study presents a novel, eco-friendly synthesis route for zinc oxide (ZnO) nanoparticles using cladode extracts of Hylocereus undatus acting simultaneously as reducing and improving agents, in alignment with green chemistry principles. The synthesis involved the reaction of zinc sulfate heptahydrate with the plant extract, with the medium pH adjusted using sodium hydroxide (NaOH), followed by calcination at 300 °C, 400 °C, and 500 °C, and then by a washing step to enhance purity. Comprehensive characterization was performed using thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and electrical impedance spectroscopy to investigate the structural, morphological, and dielectric properties of the nanoparticles. The sample calcined at 400 °C, followed by washing (HT400W), exhibits highly crystalline ZnO nanoparticles with a predominant wurtzite structure (93.15 wt% ZnO) and minimal impurities (6.85 wt% Na₂SO₄). SEM analysis indicated a flake-like morphology with nanoscale features (50–100 nm), while Raman spectroscopy confirmed enhanced crystallinity and purity post-washing. Additionally, the HT400W sample exhibited a dielectric constant (ε′) of 16.96 and a low loss tangent (tan δ) of 0.14 at 1 MHz, suggesting superior energy efficiency for high-frequency applications. This green synthesis approach not only eliminates hazardous reagents but also delivers ZnO nanoparticles with good dielectric performance. Furthermore, this work demonstrates the efficacy of a sustainable biotemplate, offering an environmentally friendly approach for synthesizing ZnO nanoparticles with tailored physicochemical properties. Full article

The interaction between terahertz (THz) photons and phonons of materials is crucial for the development of THz photonics. In this work, typical two-dimensional (2D) van der Waals (vdW) transition metal chalcogenide (TMD) layers and heterostructures are used in THz time-domain spectroscopy (TDS) measurements, low-wavenumber Raman spectroscopy measurements, calculation of 2D materials’ phonon spectra, and theoretical analysis of thermal responses. The TDS results reveal strong absorption of THz photons in the frequency range of 2.5–10 THz. The low-wavenumber Raman spectra show the phonon vibration characteristics and are used to establish phonon energy bands. We also set up a computational simulation model for thermal responses. The temperature increases and distributions in the individual layers and their heterostructures are calculated, showing that THz photon absorption results in significant increases in temperature and differences in the heterostructures. These give rise to interesting photothermal effects, including the Seebeck effect, resulting in voltages across the heterostructures. These findings provide valuable guidance for the potential optoelectronic application of the 2D vdW heterostructures. Full article

The narrow bandgap InN material, with exceptional physical properties, has recently gained considerable attention, encouraging many scientists/engineers to design infrared photodetectors, light-emitting diodes, laser diodes, solar cells, and high-power electronic devices. The InN/Sapphire samples of different film thicknesses that we have used in our methodical experimental and theoretical studies are grown by plasma-assisted molecular-beam epitaxy. Hall effect measurements on these samples have revealed high-electron-charge carrier concentration, η. The preparation of InN epifilms is quite sensitive to the growth temperature T, plasma power, N/In ratio, and pressure, P. Due to the reduced distance between N atoms at a higher P, one expects the N-flow kinetics, diffusion, surface components, and scattering rates to change in the growth chamber which might impact the quality of InN films. We believe that the ionized N, rather than molecular, or neutral species are responsible for controlling the growth of InN/Sapphire epifilms. Temperature- and power-dependent photoluminescence measurements are performed, validating the bandgap variation (~0.60–0.80 eV) of all the samples. High-resolution X-ray diffraction studies have indicated that the increase in growth temperature caused the perceived narrow peaks in the X-ray-rocking curves, leading to better-quality films with well-ordered crystalline structures. Careful simulations of the infrared reflectivity spectra provided values of η and mobility μ, in good accordance with the Hall measurements. Our first-order Raman scattering spectroscopy study has not only identified the accurate phonon values of InN samples but also revealed the low-frequency longitudinal optical phonon plasmon-coupled mode in excellent agreement with theoretical calculations. Full article

The pressure response of crystalline 9,9′-spirobifluorene up to 8 GPa was studied by means of Raman spectroscopy using a diamond anvil cell as a pressure chamber. With increasing pressure, the observed Raman peaks shifted to higher frequencies, reflecting the bond hardening upon volume reduction, which was much more pronounced for the initially weaker intermolecular interactions than for the stronger intramolecular covalent bonds. The significant changes in the Raman spectrum and the pressure evolution of the frequencies at ~1.3 GPa for both the intermolecular and the intramolecular Raman peaks signaled a pressure-induced structural and molecular conformation transition with a little hysteretic behavior (~0.5 GPa) upon pressure release. For P > 4 GPa, the reversible decrease of the pressure coefficients of the majority of the intermolecular and some intramolecular peak frequencies indicated another structural modification of the studied molecular crystal. A value of ~9 GPa for the bulk modulus of the system at zero pressure was estimated from the logarithmic pressure coefficients of the frequencies of the intermolecular modes in the low-pressure phase. These coefficients were reduced by ~6 times at 4.2 GPa, indicating that the considerable stiffening of the material in the high-pressure phase emanated from the selective strengthening of the intermolecular interactions. Full article

Local heating was performed on a thermoplastic polymer film by contact with the tip of a soldering iron heated above the glass-transition temperature. The locally heated area was measured using microscopic Raman scattering spectroscopy, and the spatial distribution of the crystallinity was obtained from the low-frequency peak. The crystallinity distribution can be evaluated using the microscale spatial resolution. The temperature distribution around the locally heated area was calculated by applying the heat conduction equation, and good correspondence was obtained with the obtained crystallinity. Full article

Activated carbon (AC) electrodes from coffee waste (CW) were earlier assessed in supercapacitors but showed lower supercapacitor performance in terms of specific capacity (C_s), specific power (P_s) or both, compared to other biowastes. This work describes how CW-based AC electrode performance may be improved if carefully prepared. Careful processing yields higher graphitization, carbon content (aromaticity), conductivity and porosity free of any residues. Thus, AC electrodes will exhibit higher C_s and P_s simultaneously. CW was first pyrolyzed (C_Pyrol) and then chemically activated by ZnCl₂ (AC_Chem). Both materials were characterized using SEM, TEM, BET, FT-IR spectra, Raman spectra and XRD. The AC_Chem exhibited much higher graphitization, crystallinity, specific surface area (SSA), porosity and conductivity. From cyclic voltammetry, the AC_Chem electrode exhibited a C_s of 261 F/g, an energy density of 18.3 Wh/kg and a P_s of 360 W/kg at 0.33 A/g. From galvanostatic charge–discharge, there was a stable C_s of 150 F/g at 0.33 A/g over 5000 charge–discharge cycles. From electrochemical impedance spectroscopy, the Cs was ~180 F/g, with a low equivalent series resistance (ESR) of 0.56 Ω at a frequency of 0.01 Hz, compared to the literature. The AC_Chem electrode was superior to the C_Pyrol electrode and to earlier CW-based AC counterparts, with much lower resistance. Moreover, the electrode competed with other biowaste-based electrodes. Full article

The 228 nm deep ultraviolet laser, leveraging its advantages of short wavelength, high photon energy, and low thermal effect, can significantly enhance the Raman signal in resonance Raman spectroscopy and demonstrates broad application potential in areas such as precision processing of photonic devices. This paper investigates a solid-state linear-cavity passively Q-switched 228 nm deep ultraviolet laser. Firstly, the laser employs an Nd:GdVO₄ crystal as the gain medium, combined with Cr⁴⁺:YAG crystal passive Q-switching technology to generate 912 nm pulsed fundamental frequency light. Subsequently, a lithium metaborate (LBO) crystal is used to generate 456 nm second-harmonic light, and finally, a barium metaborate (BBO) crystal is utilized to achieve 228 nm fourth-harmonic laser output. In this paper, we investigate the variation in 456 nm and 228 nm laser output power under the cavity length of 63 mm. Ultimately, at a pump power of 41.75 W, the highest average power of 670 mW was achieved for a 456 nm blue laser output with a repetition rate of 12 kHz and a pulse width of 32 ns. Additionally, a maximum average power of 18 mW was obtained for a 228 nm deep ultraviolet laser output, featuring a repetition rate of 12 kHz and a pulse width of 33 ns. Full article

Deep-ultraviolet (DUV) lasers operating at a wavelength of 228 nm offer distinct advantages in Raman spectroscopy and analysis, demonstrating significant potential in the field of surgical medicine. This paper details the development of a high-repetition-rate, narrow-pulse-width, short-cavity laser system functioning at 228.5 nm, which is based on Barium Borate (BBO) electro-optic Q-switching. The system utilizes a double-concave resonator structure and a pressure-applied electro-optic Q-switching technique, incorporating Lithium Borate (LBO) and BBO as frequency-doubling crystals. A low-concentration Nd:YVO₄ crystal, measuring 4 mm × 4 mm × 5 mm, serves as the gain medium, with a high-reflectivity coating applied to its left end face to function as the total reflection mirror within the resonant cavity. Upon achieving a pump power of 37 W at a repetition rate of 12 kHz, the system produced a maximum average power of 32 mW, with a pulse width varying from 2.48 ns to 2.70 ns and a central wavelength of 228.5 nm, which is effectively applicable for deep-ultraviolet spectral detection. Full article

Lead-based piezoelectric materials cause many environmental problems, regardless of their exceptional performance. To overcome this issue, a lead-free piezoelectric composite material was developed by incorporating different percentages of carbon fiber (CF) into the ceramic matrix of Bismuth Sodium Titanate (BNT) by employing the microwave sintering technique. The aim of this study was also to evaluate the impact of microwave sintering on the microstructure and the electrical behavior of the carbon-fiber-reinforced Bi_0.5Na_0.5TiO₃ composite (BNT-CF). A uniform distribution of the CF and increased densification of the BNT-CF was achieved, leading to improved piezoelectric properties. X-ray diffraction (XRD) showed the formation of a phase-pure crystalline perovskite structure consisting of CF and BNT. A Field Emission Scanning electron microscope (FESEM) revealed that utilizing microwave sintering at lower temperatures and shorter dwell times results in a superior densification of the BNT-CF. Raman Spectroscopy confirmed the perovskite structure of the BNT-CF and the presence of a Morphotropic Phase Boundary (MPB). An analysis of nanohardness indicated that the hardness of the BNT-CF increases with the increasing amount of CF. It is also revealed that the electrical conductivity of the BNT-CF at a low frequency is significantly influenced by the amount of CF and the temperature. Moreover, an increase in the carbon fiber concentration resulted in a decrease in dielectric properties. Finally, a lead-free piezoelectric BNT-CF showing dense and uniform microstructure was developed by the microwave sintering process. The promising properties of the BNT-CF make it attractive for many industrial applications. Full article

Transition metal dichalcogenides (TMDs) are drawing significant attention due to their intriguing photoelectric properties, and these interesting properties are closely related to the number of layers. Obtaining layer-controlled and high-quality TMD is still a challenge. In this context, we use the salt-assisted chemical vapor deposition to grow multilayered MoSe₂ flake and characterize it by Raman spectroscopy, second harmonic generation, and photon luminescence. Spectroscopic analysis is an effective way to characterize the stacking order and optoelectronic properties of two-dimensional materials. Notably, the corresponding mapping reflects the film quality and homogeneity. We found that the grown continuous monolayer, bilayer, and trilayer of MoSe₂ sheets with different stacking orders exhibit distinctive features. For bilayer MoSe₂, the most stable stacking configurations are the AA’ and AB order. And the uniformity of the spectroscopy maps demonstrates the high quality of the stacked MoSe₂ sheets. Full article

Low-frequency peaks in the Raman spectra of amorphous poly(ether ether ketone) (PEEK) were investigated. An amorphous sample with zero crystallinity, as confirmed by wide-angle X-ray diffraction, was used in this study. In a previous study, two peaks were observed in the low-frequency Raman spectra of the crystallized samples. Among these, the peaks at 135 cm⁻¹ disappeared for the amorphous sample. Meanwhile, for the first time, the peak at 50 cm⁻¹ was observed in the crystallized sample. Similar to the peak at 135 cm⁻¹, the peak at 50 cm⁻¹ disappeared in the amorphous state, and its intensity increased with increasing crystallinity. The origins of the two peaks were associated with the Ph-CO-Ph-type intermolecular vibrational modes in the simulation. This suggests that the Ph-CO-Ph vibrational mode observed in the low-frequency region of PEEK was strongly influenced by the intermolecular order. Full article

Carbon-based novel low-dimensional XC/YC (with X, Y ≡ Si, Ge, and Sn) heterostructures have recently gained considerable scientific and technological interest in the design of electronic devices for energy transport use in extreme environments. Despite many efforts made to understand the structural, electronic, and vibrational properties of XC and X_xY_1−xC alloys, no measurements exist for identifying the phonon characteristics of superlattices (SLs) by employing either an infrared and/or Raman scattering spectroscopy. In this work, we report the results of a systematic study to investigate the lattice dynamics of the ideal ${\left(\mathrm{X}\mathrm{C}\right)}_{\mathrm{m}}$/${\left(\mathrm{Y}\mathrm{C}\right)}_{\mathrm{n}}$ as well as graded ${\left(\mathrm{X}\mathrm{C}\right)}_{10-∆}/{\left({\mathrm{X}}_{0.5}{\mathrm{Y}}_{0.5}\mathrm{C}\right)}_{∆}/{\left(\mathrm{Y}\mathrm{C}\right)}_{10-∆}/{\left({\mathrm{X}}_{0.5}{\mathrm{Y}}_{0.5}\mathrm{C}\right)}_{∆}$ SLs by meticulously including the interfacial layer thickness $∆$ (≡1–3 monolayers). While the folded acoustic phonons (FAPs) are calculated using a Rytov model, the confined optical modes (COMs) and FAPs are described by adopting a modified linear-chain model. Although the simulations of low-energy dispersions for the FAPs indicated no significant changes by increasing $∆$, the results revealed, however, considerable “downward” shifts of high frequency COMs and “upward” shifts for the low energy optical modes. In the framework of a bond polarizability model, the calculated results of Raman scattering spectra for graded SLs are presented as a function of $∆.$ Special attention is paid to those modes in the middle of the frequency region, which offer strong contributions for enhancing the Raman intensity profiles. These simulated changes are linked to the localization of atomic displacements constrained either by the XC/YC or YC/XC unabrupt interfaces. We strongly feel that this study will encourage spectroscopists to perform Raman scattering measurements to check our theoretical conjectures. Full article

The superconductivity of CaC₆ as a function of pressure and Ca isotopic composition was revisited using DFT calculations on a 2c–double hexagonal superlattice. The introduction of superlattices was motivated by previous synchrotron absorption and Raman spectroscopy results on other superconductors that showed evidence of superlattice vibrations at low (THz) frequencies. For CaC₆, superlattices have previously been invoked to explain the ARPES data. A superlattice along the hexagonal c-axis direction is also illustrative of atomic orbital symmetry and periodicity, including bonding and antibonding s-orbital character implied by cosine-modulated electronic bands. Inspection of the cosine band revealed that the cosine function has a small (meV) energy difference between the bonding and antibonding regions, relative to a midpoint non-bonding energy. Fermi surface nesting was apparent in an appropriately folded Fermi surface using a superlattice construct. Nesting relationships identified phonon vectors for the conservation of energy and for phase coherency between coupled electrons at opposite sides of the Fermi surface. A detailed analysis of this Fermi surface nesting provided accurate estimates of the superconducting gaps for CaC₆ with the change in applied pressure. The recognition of superlattices within a rhombohedral or hexagonal representation provides consistent mechanistic insight on superconductivity and electron−phonon coupling in CaC₆. Full article

Here, we report the preparation and evaluation of PVA/PEDOT:PSS-conducting hydrogels working as channel materials for OECT applications, focusing on the understanding of their charge transport and transfer properties. Our conducting hydrogels are based on crosslinked PVA with PEDOT:PSS interacting via hydrogen bonding and exhibit an excellent swelling ratio of ~180–200% w/w. Our electrochemical impedance studies indicate that the charge transport and transfer processes at the channel material based on conducting hydrogels are not trivial compared to conducting polymeric films. The most relevant feature is that the ionic transport through the swollen hydrogel is clearly different from the transport through the solution, and the charge transfer and diffusion processes govern the low-frequency regime. In addition, we have performed in operando Raman spectroscopy analyses in the OECT devices supported by first-principle computational simulations corroborating the doping/de-doping processes under different applied gate voltages. The maximum transconductance (g_m~1.05 μS) and maximum volumetric capacitance (C*~2.3 F.cm⁻³) values indicate that these conducting hydrogels can be promising candidates as channel materials for OECT devices. Full article