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A nonlocal photoacoustic effect with variable thermal conductivity of semiconductor material subjected to laser heat source

This study explores the behavior of laser-exposed photo-excited carriers, investigating the propagation of photoacoustic waves in the thermoelastic domain. It also delves into the theoretical generation of surface acoustic waves in semiconductors through photo-thermoelastic processes. The research considers the interaction between thermomechanical and acoustic waves in a nonlocal medium with temperature-dependent thermal conductivity. Unlike relying on electron–phonon or electron-hole thermalization processes, photoacoustic waves here result from thermoelastic stress induced by the laser-induced temperature increase. The investigation accounts for the optical, mechanical, and thermoelastic properties of nanoscale semiconductor materials. Predictions of photoacoustic signals are derived by solving a combined thermal diffusion issue and a thermoelastic problem, using Laplace and Fourier transforms in the mathematical model. Numerical solutions encompass various physical fields within the time domain using the inversion technique of Laplace and Fourier transforms, such as thermal, acoustic, mechanical, and carrier density diffusion. The study evaluates and compares the influences of thermal memory and thermal conductivity presenting visual representations.

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Indium-free nonmetal and Nb co-doped anatase TiO2 transparent conductive oxide materials for photovoltaic applications: From first-principles calculations to macroscopic simulation

Various researchers have attempted to design indium-free transparent conductive materials. This study first employed density functional theory combined with the Hubbard U parameter to predict the photoelectric properties of nonmetal (B, C, N, F, P, and S) and Nb co-doped anatase TiO2. The results indicate that Ti0.875Nb0.125O1.96875N0.03125, Ti0.9375Nb0.0625O1.96875F0.03125, Ti0.875Nb0.125O1.96875P0.03125 and Ti0.9375Nb0.0625O1.96875S0.03125 possess characteristics of n-type semiconductors with high transmittance, exceptional thermal stability and wide bandgap. Notably, Ti0.9375Nb0.0625O1.96875S0.03125 exhibits optimal electronic conductivity due to its lower effective mass and higher electron concentration. Then, we used the SCAPS-1D solar cell simulation software to simulate the macroscopic characteristics of the MASnI3-based perovskite solar cell with Ti0.9375Nb0.0625O1.96875S0.03125 transparent conductive oxide layer based on the microscopic properties computed at the density functional theory level. A maximum efficiency of 27.17 % is obtained by regulating the thickness, electron affinity, and defect density of Ti0.9375Nb0.0625O1.96875S0.03125 layer and the thickness of MASnI3 absorber layer. The findings highlight the tremendous potential of Ti0.9375Nb0.0625O1.96875S0.03125 as an indium-free transparent conductive oxide candidate material for photovoltaic applications.

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Analyzing coherent and incoherent optical susceptibilities in four-wave mixing: stochasticity, symmetry, and intramolecular coupling

The nonlinear optical susceptibilities are analyzed in their optical propagation length considering the incoherent-coherent contributions with the dependence on the relaxation times. In addition, some symmetry properties of the Four-Wave mixing (FWM) signal concerning the frequency detuning exchange are used in the study, without restricting ourselves to the maxima of population oscillations. We analyze the behaviors of these optical responses in a vibronic coupling scheme using a molecule model consisting of two coupled harmonic curves of electronic energies with displaced minima in position and nuclear energies. The solvent effect in our model is treated through the natural Bohr frequency shift to a time-dependent function, with explicit manifestations in its comparison as if the upper state were broadened. Our results for both FWM signal propagation and nonlinear optical susceptibilities are sensitive to the intramolecular coupling parameters, solvent stochasticity, and perturbation order for the treatment of the weak probe beam. The consideration of a second-order probe beam in FWM would not represent a significant contribution to the predicted results, since its percentage contribution is negligible within the model development framework; however, this contribution becomes important when increasing the ratio between longitudinal and transverse relaxation times.

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Improvement of gas-sensing performance of TO8C monolayers as high-efficient room-temperature NO and NO2 gas sensors induced by electric field

The gas-sensing application potential of the TO8C monolayer for the target gases (NO, NO2, CO, CO2, NH3, CH4, H2O, and H2) was systematically investigated via DFT calculations. Only NO and NO2 adsorption can tune the electronic properties of the TO8C monolayer. Since the weak adsorption strength of NO and NO2 is unfavorable for the sensor device, E-field modulation was applied. Except as the enhancement of adsorption strength into desired ranges for NO and NO2, E-field modulation of −0.14 ∼ −0.21 V/Å for NO (0.08 ∼ 0.12 V/Å and −0.26 ∼ −0.29 V/Å for NO2) makes semiconducting transfer into conducting properties, indicating the sensitivity of the monolayer towards NO and NO2 gases was also effectively improved. However, the electronic properties of TO8C monolayer adsorbed with the other gases were hardly changed by the above-mentioned E-fields. When the applied E-fields were in −0.12 ∼ −0.17 V/Å (or −0.26 ∼ −0.29 V/Å), the conducting properties for NO (or NO2) adsorption were maintained in the existence of humidity, indicating that the determinate E-field is much favorable for the TO8C-based sensor to detect NO and NO2 gases without considering whether the humidity exists. Our findings reveal that the TO8C monolayers are compelling and feasible candidates for NO and NO2 resistance-type sensors at room temperature under the E-field modulation.

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Characterization and the physical properties of nano-sized Bi2O3/polymer for energy and high-refractive index applications

The present work focuses on developing nanocomposites for optoelectronics and energy storage devices leveraging the unique physicochemical features of bismuth (III) oxide (Bi2O3) using a polyvinyl pyrrolidone/polyvinyl alcohol matrix (PV(A/P)). Bi2O3 nanofillers (NF) and Bi2O3/PV(A/P) nanocomposite (NC) films were prepared by facile chemical solution approaches. The X-ray (XRD) data and a transmission electron image revealed that the NF exhibits a monoclinic phase, resembling slightly deformed agglomerated spheres. In the FTIR spectrum, different stretching vibrations of Bi-O-Bi bonds were found, along with their complexation and interaction with the reactive groups in the matrix. The SEM revealed a uniform distribution of Bi2O3 NF loading up to 1.5 wt% on the sample’s surface. Thermal analyses (TGA and DSC thermograms) were used to study the thermal stability, melting, and decomposition temperatures of the NC films. The dielectric features were studied under frequencies between 2 × 103 and 8 × 106 Hz and heating from 293 to 393 K. The dielectric constant and energy density were increased with Bi2O3 NF content. This implies that we can utilize the prepared NC for the fabrication of energy storage devices. The influences of the Bi2O3 NF doping level on the transmittance, band gap, Urbach energy, refractive index, conductivity, and other physical parameters were discussed. The modifications induced in the dielectric/optical parameters make the prepared NC films the best candidates for applications requiring a high refractive index, such as optical coatings and integrated photonic devices.

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