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Two-dimensional transition metal dichalcogenides possess a significant specific surface area, adjustable bandgaps, and excellent optical absorption properties, rendering them highly conducive to photocatalytic applications. Herein, a MoS2-like 2D superatomic Cd6S2 monolayer is predicted, wherein the octahedral Cd6 superatom unit connects with S atoms via six vertices. Chemical bonding analysis reveals that the remarkable dynamic, thermal, and mechanical stability of the Cd6S2 monolayer results from the covalent Cd–S bonds and the 6-center 8-electron (6c–8e) delocalized bond within the Cd6 core, which ensures the chemical octet rule for both the S atom and the Cd6 superatom. Demonstrating notable optical absorption coefficients and a strain-tuned energy band structure, the Cd6S2 monolayer emerges as a viable candidate for catalyzing the solar-powered splitting of water. This work offers an alternative avenue to modify or improve the properties of 2D materials for photocatalytic applications through superatomic assembly. [ABSTRACT FROM AUTHOR]

In the search for materials alternate to bulk HgCdTe for high performance infrared imaging applications, colloidal quantum dots (CQDs), particularly HgTe CQDs, have gained traction owing to acceptable detector performance with easy preparation and low cost. In this article, we evaluate α -Sn CQDs, an environmentally less reactive and less toxic alternative to HgTe, for infrared sensing applications. Ab initio density functional theory calculations are used to study the shape-dependent stability, electronic bandgap, and absorption coefficient of α -Sn CQD nanoparticles (NPs). We consider three possible CQD shape constructions—Wulff, shell-by-shell, and spherical. The CQD of Wulff construction is predicted to be the most stable. However, we find that the size, not the shape, of the NP has a strong effect on the bandgap and absorption coefficient. Consequently, a sharp absorption edge is expected even in an ensemble of CQDs with different shapes. Importantly, the shape determines the position of the band edges with respect to vacuum, and thus offers a possibility of choosing the shape to improve alignment with the energy levels of ligands to enable efficient drift transport, instead of a slower and less efficient hopping transport. [ABSTRACT FROM AUTHOR]

We study the magneto-optical properties of Dirac semimetal (DSM) slabs with particular emphasis on Cd 3 As 2 through electron–photon–phonon interactions, focusing on the magneto-optical absorption coefficient (MOAC) and full-width at half maximum (FWHM). Studying the Landau level (LL) energy of DSMs in the (x y) plane and the z -direction revealed a unique deviation from the square root dependence on the magnetic field, distinguishing DSMs from other semiconductors. At high magnetic fields, the electron–hole symmetry in the LL spectrum is broken, indicating a topological phase in DSMs. For undoped DSMs, MOAC is driven by interband transitions, with peaks from one-photon absorption being smaller and positioned to the left of two-photon ones. Increasing the magnetic field increases peak values. FWHM for one- and two-photon processes increases with the magnetic field and follows a T dependence on temperature. In doped DSMs, both intraband and interband transitions occur, with new interband peaks emerging at higher temperatures near the Fermi energy. Increased electron density shifts the peak position slightly toward higher energy. Peaks from optical phonon emission are consistently higher and located to the right of those from optical phonon absorption, indicating a stronger emission process. The FWHM data allow for the estimation of electron mobilities, and using a reasonable broadening parameter, our predicted mobility values agree with experimental results. [ABSTRACT FROM AUTHOR]

We propose a novel hybrid acoustic metamaterial that can achieve broadband sound insulation below 452 Hz and almost perfect sound absorption at 864 Hz. The metastructure was fabricated using additive manufacturing. Finite element method simulations were used to study the acoustic properties of the fabricated metamaterials. An equivalent electrical circuit was built using an electro-acoustic analogy to evaluate the sound absorption coefficient. The unique design of this meta-structure possesses two resonant frequencies. Low-frequency sound insulation is found due to the effective negative density at frequencies lower than the cutoff frequency of the elastic membrane. In contrast, a negative effective bulk modulus is the reason behind the broadband sound absorption. The theoretical and simulation results were validated through experiments. Experiments carried out showed an overall average sound transmission loss of 26.31 dB between 50 and 1600 Hz and 24.72 dB in the low-frequency zone (<400 Hz). Furthermore, over 69% of the sound intensity is absorbed in the 500–1000 Hz frequency range. The designed meta-structure exhibits broadband effective negative density below 452 Hz and effective negative bulk modulus from 864 to 1220 Hz. The design specifies a sample thickness of 3.8 cm, corresponding to a subwavelength thickness of approximately λ/10. As a result, the developed meta-structure can potentially be employed for sound insulation and absorption at low frequencies in the aerospace and automotive industries and in-room acoustic applications. [ABSTRACT FROM AUTHOR]

In the presented work, the possibility of controlling laser generation using a nematic liquid crystal (NLC) in a hybrid layered structure consisting of a thin metal layer (Ag), a layer of NLC doped with a light-absorbing dye, and a distributed Bragg reflector (DBR) with a rectangular refractive index profile is theoretically studied. Spectral dependencies of the reflection, transmission, and absorption coefficients of light as well as the localization coefficient of the light field in NLC within the photonic bandgap of the DBR are obtained. Narrow dips in the reflection coefficient and peaks in the transmission coefficient are achieved due to the excitation of plasmons at the Ag-NLC interface. The dependence of the spectral position and magnitude of the plasmonic dips/peaks and the enhancement of the light field in the NLC medium on the thickness and orientation of the NLC layer as well as the impact of a light-absorbing dye doping are investigated. Theoretical calculations of the temporal dependencies of luminescence pulses for pumping pulses of different power settings (below, above, and at the threshold of laser generation) and different values of light absorption in the dye-doped NLC medium are performed, taking into account the peculiarities of the optical properties of the dye-doped NLC. [ABSTRACT FROM AUTHOR]

Over the past decade, the certified power conversion efficiency of perovskite solar cells (PSCs) has increased to 26.1%. However, phase instability originating from lattice strains, has limited their commercialization. Strains will inevitably be generated during the PSC fabrication and service process due to the "soft lattice" nature of halide perovskites. In particular, flexible PSCs are subjected to not only mechanical tensile and compressive loads, but also suffer from thermal stresses. In this study, strain-induced changes in the phase stability and the corresponding optoelectronic properties of CsPbI3−xBrx (CsPbI3, CsPbBr3, and CsPbI2Br) systems under tensile and compressive stresses were investigated using first-principles calculations. The results showed that compressive stresses reduce the bandgap value and increase the light absorption coefficient; thus, the optoelectronic performance is improved, whereas the light absorption coefficient decreases regardless of how the bandgap changes under tensile stresses. Moreover, under the same stress, the tensile strain value was twice that of the compressive strain, and the critical value of the transition from the cubic to tetragonal phase was lower, indicating that phase stability was worse under tensile stresses. Therefore, during the fabrication of PSCs, the tensile stress state should be adjusted to the compressive stress state, which is favorable for enhancing PSCs photovoltaic performance and phase stability. The results not only provide direct evidence of tensile and compressive strains influencing the phase stability and optoelectronic property changes in halide perovskites, but also highlight lattice-strain tailoring for the composition design, process optimization, and interface engineering of efficient and stable PSCs. [ABSTRACT FROM AUTHOR]

The extreme ultraviolet (EUV) nanolithography technology is the keystone for developing the next-generation chips. As conventional chemically amplified resists are approaching the resolution limit, metal-containing photoresists, especially tin-oxo clusters, seize the opportunity to embrace this challenge owing to their small sizes, precise atomic structures, and strong EUV absorption. However, atomistic insights into the mechanism for regulating their photolithographic behavior are lacking. Herein, we systematically explored the effects of ligands, counterions, and endohedral doping on the photophysical properties of tin-oxo cage clusters by first-principles calculations combined with molecular dynamics simulations. Photoresists assembled by allyl-protected clusters with small-size OH− or Cl− counterions have a high absorption coefficient at the EUV wavelength of 13.5 nm and a low energy cost for ligand detachment and superior stability to ensure high sensitivity and strong etch resistance, respectively. The photoresist performance can further be improved by endohedral doping of the metal-oxo nanocage with Ag+ and Cd2+ ions, which exhibit superatomic characteristics and are likely to be synthesized in laboratory. These theoretical results provide useful guidance for modification of metal-oxo clusters for high-resolution EUV photolithography. [ABSTRACT FROM AUTHOR]

Toward identifying efficient sound absorbers, we have formulated and analyzed the micro-perforated panels (MPPs) comprising cylindrical pores of arbitrary axial profiles for out-of-plane wave propagation. First, the forward problem was solved wherein an exact analytical expression for the absorption coefficient α was developed for these MPPs. The dependence of α was analyzed for various profiles comprising convex and concave-shaped sections including divergent and convergent linear and sinusoidal profiles, conic sections, Kilroy, and chirp shapes. The MPPs with pores having a diverging shape at the entrance were found to have higher sound absorption. The non-symmetric fluctuations in the profile led to fluctuations in the spectrum of α. Aiming to address the long-standing challenge of low-frequency sound absorption, we solved the inverse problem to identify the axial profile of the cylindrical pore for maximum sound absorption for frequencies up to 2500 Hz. Given the advances in additive manufacturing, the results of this comprehensive work help in designing MPPs comprising complex-shaped pores suitable for a particular spectral regime. [ABSTRACT FROM AUTHOR]

Taking into account the electron-rich and visible light response of thiophene, first-principles calculations have been carried out to explore the photocatalytic activity of donor–acceptor polymers incorporating thiophene and boron. Honeycomb-kagome boron–thiophene (BTP) polymers with varying numbers of thiophene units and fixed B center atoms are direct bandgap semiconductors with tunable bandgaps ranging from 2.41 to 1.88 eV and show high absorption coefficients under the ultraviolet and visible regions of the solar spectrum. Fine-tuning the band edges of the BTP polymer is efficiently achieved by adjusting the pore size through the manipulation of thiophene units between the B centers. This manipulation, achieved without excessive chemical functionalization, facilitates the generation of an appropriate quantity of photoexcited electrons and/or holes to straddle the redox potential of the water. Our study demonstrates that two units between B centers of thiophene in BTP polymers enable overall photocatalytic water splitting, whereas BTP polymers with larger pores solely promote photocatalytic hydrogen reduction. Moreover, the thermodynamics of hydrogen and oxygen reduction reactions either proceed spontaneously or need small additional external biases. Our findings provide the rationale for designing metal-free and single-material polymer photocatalysts based on thiophene, specifically for achieving efficient overall water splitting. [ABSTRACT FROM AUTHOR]

The dispersion properties of the absorption coefficients [α(ν)] of different multi-component silicate oxide glasses have been studied in the frequency region below the boson peak by using THz-time-domain spectroscopy. The value of α(ν)/ν2 has been shown to exhibit a minimum level (R) at low frequency and subsequently a linear increase in the form of r(ν/νBP + E) with increasing frequency, where νBP is the boson peak frequency and R, r, and E are material-specific constants. It has also been found that R ∝ r and E is a constant common to most glasses. This α(ν)/ν2 behavior is ascribed to the dispersion property of the light-vibration coupling coefficient under the reasonable vibrational density of state function. The minimum (constant) and linear terms of the α(ν)/ν2 spectrum are originated from the physical/chemical disorder-induced charge fluctuations in the long-range scale (constant term) and short-range scale (linear term), respectively. The fluctuating charge (σ1) caused by uncorrelated, long-range disorders has primary significance for determining the sub-THz absorption dispersion properties, and its value has been determined for each glass material. [ABSTRACT FROM AUTHOR]

In recent years, organic–inorganic hybrid perovskite (PVK) devices have attracted widespread attention with their high absorption coefficient and low-cost fabrication process. Formamidinium lead iodide (FAPbI3) perovskite solar cells (PSCs) have been reported to obtain high power conversion efficiencies (PCEs) due to the narrow bandgap. Zinc oxide (ZnO) has better electrical conductivity and high transmittance than tin (IV) dioxide (SnO2). However, the deprotonation behavior of ZnO limits its use in formamidinium (FA) or methylammonium (MA) devices, so it is mostly used in all-inorganic PSCs. In this work, to avoid the deprotonation behavior of ZnO, we prepared FAPbI3 PSCs using ZnO/SnO2 as bilayer electron transporting layers (ETLs), which improved the conductivity of the ETLs and promoted electron extraction and transfer. In addition, the decrease in the oxygen vacancy (Ov) on the bilayer ETLs contributed to the suppression of the non-radiative recombination of the device, thus enabling the achievement of a higher fill factor. As a result, the modified ETLs increased the PCE of FAPbI3 PSCs from 20.24% to 21.42% and improved the stability of the devices. The PCE of unpackaged devices increased steadily to 21.91% when stored in an N2 atmosphere for 183 days. [ABSTRACT FROM AUTHOR]

The described method is intended for application as a diagnostic tool for a nonstationary, short-lived plasma (in particular, for the laser-produced plasma). It is based on taking into account the lifetime of a laser-produced plasma, which is so short (several nanoseconds) that it is not enough for the ionization equilibrium to be established. Among mechanisms leading to appearance of an ion with a given charge Z in the plasma, only the electron-collisional ionization is considered, because contributions of other phenomena turn out to be negligible. The method is discussed as an example of a plasma excited on the Xe gas-jet target. The necessary collisional cross sections of ions from+7Xe to+16Xe have been calculated specifically for this study using a quantum-mechanical numerical simulation, with its principles and features being also presented in the paper. To demonstrate capabilities of the method, it has been applied to one of the experimental cases when the plasma was produced by the laser beam focused on the Xe gas-jet target. The time-integrated energy of laser radiation absorbed in the plasma was measured, and the absorption coefficient, μ, was derived from it with a correction for the plasma lifetime, which was several times shorter than the laser pulse. Using the method described here, the values of ⟨ Z ⟩ and then μ were calculated as a function of temperature. The time-averaged plasma temperature, T, in the above-mentioned experiment was believed to be equal to that at which the calculated and experimentally determined values of μ coincided. The following results were obtained: T = 42 eV, ⟨ Z ⟩ = 10.2. [ABSTRACT FROM AUTHOR]

Quantum dots (QDs) have attracted much attention and exhibit many attractive properties, including high absorption coefficient, adjustable bandgap, high brightness, long-term stability, and size-dependent emission. It is known that to obtain high-quality luminescent properties (i.e. emission color, color purity, quantum yield, and stability), the synthesis parameters must be precisely controlled. In this work, we have constructed a database with CdTe aqueous synthesis parameters and spectroscopic results and applied machine learning algorithms to better understand the influence of the main synthesis parameters of CdTe QDs on their final emission properties. A strong dependence of the final emission wavelength with the reaction time and surface ligands and precursors concentrations was demonstrated. These parameters adjusted synchronously were shown to be very useful for provide ideal synthesis conditions for the preparation of CdTe QDs with desirable emission wavelengths. Moreover, applying the algorithms correctly allows for obtaining information and insights into the growth kinetics of QDs under different synthetic conditions. [ABSTRACT FROM AUTHOR]

Proposed here is a metastructure based on a micro-perforated panel and an impedance-matching coiled-up cavity with continuously variable cross section, which achieves perfect absorption with a resonant frequency of 496 Hz and an absolute bandwidth (α ≥ 0.5) of 468 Hz. The structure thickness is ca. 1/13 of the operating wavelength λ in the deep subwavelength range. A relative bandwidth of 84.04%–111.67% is achieved through parametric studies. Physically, the continuous variation of the cavity cross section through which sound waves enter weakens the acoustic reflections generated by cross-sectional abruptness and enhances the impedance matching with the air. Furthermore, particle swarm optimization is coupled with a theoretical model to tailor the metastructure to realize the maximum absorption coefficient in the defined frequency range. It is shown theoretically that coherent coupling "weak resonance"—in which each unit individually exhibits imperfect absorption peaks—significantly improves the absorption performance in a broad frequency band through the coherent coupling effect. Finally, a hybrid metastructure using a parallel coupling sample is fabricated, and its acoustic properties are measured in an impedance tube. The average absorption coefficient of this metastructure is 0.934 in the quasi-perfect band (α > 0.9) from 400 to 650 Hz, and the thickness is only ca. λ/15. The unique innovation of a cavity with continuously variable cross section provides new ideas for designing broadband low-frequency sound-absorbing metastructures. [ABSTRACT FROM AUTHOR]

The effects of tensile and compressive deformation on the structural stability, electronic structure and optical properties of the Zn atom-adsorbed borophene system, which are exhibited by reflectivity, absorption coefficient, bandgap and adsorption energy, were studied using the first-principles calculations based on density functional theory (DFT). The borophene planes were found to be distorted following Zn atom adsorption. The adsorption energy calculations show that the stability decreases both under tensile and compressive strains. When tensile and compressive loading increase to 5%, respectively, the system loses the stability and the ability of adsorbing Zn atoms on borophene. The band structure and density of states analysis show that the band structure of borophene is changed by the Zn atom adsorption, with a band overlap near the Fermi level and more impurity energy levels in the conduction band. The hybridization is formed between Zn atom and borophene in the range of –12 eV to 6 eV, with the s and p orbitals both contributing to the conduction and valence bands, but p orbitals make a larger contribution to the total density of states than s orbitals. Studies of optical properties have shown that tensile and compressive strains both increase the dielectric constant of the adsorbed system, with compressive strains causing a redshift in the major peaks of the real and imaginary parts of the spectrum. The tensile strain has little effect on the absorption coefficient and reflectance of the borophene. As the compressive strain increases, the peak absorption coefficient of the adsorbed system is shifted to the blue and the peak reflectance is redshifted. [ABSTRACT FROM AUTHOR]

AgIn5S8, a narrow, direct bandgap semiconductor, has gained much attention in photocatalysis due to its excellent visible-light absorption coefficient, good photoconductivity, light stability and biocompatibility. Thus, it is a promising active material for photocatalytic degradation of organic pollutants. In this review, synthesis methods of different AgIn5S8-based photocatalysts are introduced in detail first, such as solid-state reaction methods, hydrothermal/solvothermal methods, and microwave synthesis methods. Subsequently, photocatalytic degradation improvement strategies of AgIn5S8-based photocatalysts are systematically summarized, mainly including morphology control, defect engineering, doping, surface plasmon resonance effects and constructing heterojunctions. The perspective and the future challenge are provided at the end. This review can accelerate the development of AgIn5S8-based photocatalysts in related applications. [ABSTRACT FROM AUTHOR]

In this paper, it is found that taking a semitransparent melt, influences c–m interface shape, heat transfer, melt flow and von Mises thermal stress distributions, therefore the quality of the grown crystal. As a result, when absorption coefficients of both melt and crystal change from transparent to opaque case, the c–m interface convexity reduces from 12.5 to 5.8 mm, its shape becomes more convex toward the melt, and the maximum von Mises thermal stresses decreases from 69.55 to 13.8 MPa. For the second study, where the crystal absorption coefficient is fixed at 20m−1$20\ {{\mathrm{m}}}^{ - 1}$, the c–m interface convexity increases with the increase in melt absorption coefficient. The maximum and minimum von Mises stresses for the case 100m−1$100\ {{\mathrm{m}}}^{ - 1}$ are low compared to other values; then the grown crystal has a good quality. [ABSTRACT FROM AUTHOR]

This study presents a comprehensive analysis of the orthorhombic CsCuO, focusing on its structural, electronic, mechanical, and optical properties, which uses the first‐principles plane wave pseudopotential technique and local density approximation methods based on density functional theory. The derived structural parameters closely match the previously reported experimental data. The calculated results show that CsCuO is mechanically stable and exhibits a certain toughness. Research on electronic properties shows that CsCuO is a direct‐bandgap semiconductor. Charge density and population analysis show that covalent bonds are formed between O and Cu. The optical property results show that CsCuO has good passability to incident light, indicating that CsCuO is an excellent transparent material. In the visible and infrared light regions, CsCuO has a low absorption coefficient, mainly manifested as ultraviolet absorption. Reflection is mainly distributed in the high‐energy region and does not exceed 25% in the visible light region. It can be used in fields that require less light reflection and the manufacture of medical ultraviolet disinfection equipment. [ABSTRACT FROM AUTHOR]

BOIMPY (bis‐ (borondifluoride)‐8‐imidazodipyrromethene) photosensitizers were developed for imaging‐guided photodynamic therapy (PDT). The introduction of heavy atoms (Br and I) to the β‐positions of BOIMPY combined with the twisted structure of the molecule was the strategy to enhance the intersystem crossing process of the BOIMPYs and reduce intermolecular π–π interactions of BOIMPY core. To clarify the electronic features of BOIMPY derivatives, their optical properties were studied using UV‐vis absorption, fluorescence spectroscopy, electrochemistry, and density functional theory (DFT) computing. The halogenated BOIMPYs exhibited a high absorption coefficient with high singlet oxygen generation ability (ΦΔ=0.46 and 0.94 for brominated and iodinated BOIMPY, respectively). More significantly, an in vitro investigation showed that all derivatives displayed fluorescence in cancer cells and that the halogenated BOIMPYs increased the effectiveness of tumor inhibition upon exposure to 660 nm red LED light radiation. The half‐maximal inhibitory concentrations for the iodinated and brominated BOIMPYs were 2.14 μM and 14.78 μM, respectively. Consequently, iodinated BOIMPY has been shown to represent a new class of photosensitizers with potential use in imaging‐guided photodynamic therapy. [ABSTRACT FROM AUTHOR]

Two‐dimensional polymers (2DPs) and their layer‐stacked 2D covalent organic frameworks have recently emerged as nonlinear optical (NLO) materials for potential applications in optics. However, the chemistry for designing third‐order NLO 2DP films with large nonlinear absorption coefficient (β) has remained a mystery. Herein, three highly crystalline porphyrin‐integrated 2D polyimines (named as 2DPI‐Zn‐Azo, 2DPI‐2H‐Azo, and 2DPI‐Zn), which are homogeneous films showing large lateral areas over cm2, uniform transparency, and thickness of tens of nanometers are reported. Particularly, the 2DPI‐Zn‐Azo film comprising zinc porphyrin and –NN– displays a large saturable absorption under 532 nm and the highest β (−1.88 × 105 cm GW−1) among the three 2D polyimines, that is also 2–5 orders of magnitude higher than the state‐of‐art performance of photoactive small molecules, porphyrin‐integrated 2DPs, and inorganic 2D materials. Control experiments in combination with theoretical calculation discover that the embedding of metal centers and –NN– results in highly delocalized π‐electrons and narrow bandgap in 2DPI‐Zn‐Azo, which enables fast transfer of the photogenerated electrons after the light‐excited charge separation, thus boosting the NLO performance. This work opens up a new path for the construction of highly efficient third‐order NLO film materials, and pushes the development of 2DPs for optics and optoelectronics. [ABSTRACT FROM AUTHOR]

A photovoltaic wittichenite semiconductor of Cu3BiS3, due to its optimal bandgap, high light absorption coefficient, and various advantages of low cost and environmental‐friendliness, has been considered a competitive candidate for solar absorber materials of photocathode for photoelectrochemical water splitting. However, the presence of various deleterious defects in the Cu3BiS3 lattice and its high conduction band minimum are detrimental factors that restrict further enhancements in the conversion efficiency of Cu3BiS3‐based photocathode. Herein, a one‐step solution‐based Ag element doping strategy is proposed to improve the crystalline quality of Cu3BiS3 films, which includes enlarging the grain size and reducing the intergranular gaps. Additionally, the Ag‐doped Cu3BiS3 layer can form a more favorable band alignment with the buffer layer. Ultimately, the fabricated composite Cu3BiS3‐based photocathode doped with 3% Ag delivers a remarkable photocurrent density of 13.6 mA cm−2 under 0 VRHE, an applied bias photon‐to‐current efficiency of 2.85%, and long‐term stability exceeding 12 h. Furthermore, with the assistance of a BiVO4 photoanode, the tandem cell also achieves an unbiased solar‐to‐hydrogen efficiency of 2.64%, with no significant decline observed within 20 h. [ABSTRACT FROM AUTHOR]

The paper reports the study of surface roughness based opto-mechanical properties of Chlorobutyl (CIIR)/Natural Rubber (NR) 70/30 polymers filled with different contents of hybrid (CB/CN) using indigenously designed THz spectrophotometer between 1 and 2.0 THz range. The carbon black (CB) and Carbon nano powders were mixed between 20 and 2.0–7.5 Phr range in the chlorobutyl and natural rubber matrix for improvising their surface quality and mechanical strength. The physical and structural changes were ascertained in terms of transmission, refractive indices and absorption coefficients. The percentage of filler also influences the morphology and surface roughness quality of the rubber due to intercalation and measured in terms of surface roughness factor 'g' optical impedance 'z' and reflection coefficients between 0.1 and 2.0 THz range. The obtained values of optical impedance lie between 220.2 and 235.6 Ω range and were correlated with the mechanical strength of the rubber samples. It provides a new modality to understand the effect of fillers on the strength of rubber samples. [ABSTRACT FROM AUTHOR]

In response to the limitations of current transparent window materials in γ-ray shielding scenarios, herein, high-lead equivalent (0.865 mmpb) Yb 2 Hf 2 O 7 transparent ceramics (YbHO-TCs) were prepared via a solid-state reaction and vacuum sintering. The fabricated YbHO-TC shows high transparency, where the in-line transmittance up to 78.9 % at 1200 nm, which is extremely close to their theoretical limit (79 %). Additionally, the linear absorption coefficient of YbHO-TC for γ-rays is 0.482, approximately twice that of the state-of-the-art lead glass materials widely employed in radiation-shielding windows. Remarkably, YbHO-TC displayed no discoloration, and its in-line transmittance exhibited little change even when exposed to a radiation dose as high as 800 kGy. The innovative developed YbHO-TC integrates high transparency and high-lead equivalent properties, not only rending them highly promising for deployment as γ-rays shielding windows but also inspiring the controllable design of high-performance optical windows tailored for use in radiation shielding applications. [ABSTRACT FROM AUTHOR]

Monolayer transition metal dichalcogenides (TMDCs) have extensive applications in the field of optics and optoelectronics by virtue of their unique band structures and excitonic properties. Although possessing high absorption coefficient and emission efficiency, they suffer from low optical absorptance due to the atomic scale thickness, which limits their photoluminescence and optoelectronic performance. In spite of intense research efforts on absorption enhancement of monolayer TMDCs by optical cavities, such as plasmonic and all‐dielectric nanoresonators, there inevitably exists a competition of absorption between them because of the loss in cavities. Here, strong absorption enhancements of monolayer WS2 integrated onto a TiO2 nanohole array fabricated by colloidal lithography are reported. It achieves theoretically a tenfold and experimentally a sixfold enhancement of absorption within monolayer WS2 near the band edge when TE and TM modes of the TiO2 nanohole array spectrally overlap with the A exciton. This result can be attributed to the near perfect reflection and near field localization properties of the resonant modes in TiO2 nanohole arrays. Further, the photoluminescence of monolayer WS2 is also significantly improved owing to the increased absorption of WS2 as well as Purcell effect. Such heterostructure paves the way for designing high‐efficiency sources, photodetectors, and photovoltaic devices. [ABSTRACT FROM AUTHOR]

Modern civilization relies on rapid and accurate gas molecule identification at low concentrations for environmental surveillance, civilian security, healthcare evaluation, and inside atmospheric control. Density functional theory simulations are used to study the adsorption of CH4, CO2, PH3, N2O, NH3, O3, and SO2 gas molecules on a vertical hexagonal boron nitride/graphene heterostructure using the CASTEP code. Negative adsorption energy is only detected for NH3, O3, and SO2 gases. Our adsorption energy measurements show that the heterostructure is sensitive to NH3, O3, and SO2 gas molecules but insensitive to other gas molecules, as shown by the positive results. Further electrical and optical properties are only performed on gas‐adsorbed structures. It is found that the pure heterostructure acts like a semiconductor and has a band gap of 1.742 eV, which changes when gas is absorbed. Each of the structures has high absorption coefficients in the UV region, making them promising candidates for optoelectronic devices. The determination of the adsorbed gas type can be achieved by measuring the peak intensity and peak position of reflection or absorption. Heterostructures exhibit superior sensing capabilities for NH3 compared to other gases because of their enhanced adsorption energy, distinctive electrical band gap, and notable optical characteristics. [ABSTRACT FROM AUTHOR]

This research introduces an innovative application of physics-informed neural networks (PINNs) to tackle the intricate challenges of radiative transfer (RT) modelling in exoplanetary atmospheres, with a special focus on efficiently handling scattering phenomena. Traditional RT models often simplify scattering as absorption, leading to inaccuracies. Our approach utilizes PINNs, noted for their ability to incorporate the governing differential equations of RT directly into their loss function, thus offering a more precise yet potentially fast modelling technique. The core of our method involves the development of a parametrized PINN tailored for a modified RT equation, enhancing its adaptability to various atmospheric scenarios. We focus on RT in transiting exoplanet atmospheres using a simplified 1D isothermal model with pressure-dependent coefficients for absorption and Rayleigh scattering. In scenarios of pure absorption, the PINN demonstrates its effectiveness in predicting transmission spectra for diverse absorption profiles. For Rayleigh scattering, the network successfully computes the RT equation, addressing both direct and diffuse stellar light components. While our preliminary results with simplified models are promising, indicating the potential of PINNs in improving RT calculations, we acknowledge the errors stemming from our approximations as well as the challenges in applying this technique to more complex atmospheric conditions. Specifically, extending our approach to atmospheres with intricate temperature-pressure profiles and varying scattering properties, such as those introduced by clouds and hazes, remains a significant area for future development. [ABSTRACT FROM AUTHOR]

Ni-doped molybdenum disulfide (MoS 2) powders at 1%, 2%, 3%, 4%, 5% and 7% of Ni are prepared by the hydrothermal method. Sophisticated analytical studies such as X-ray diffraction, Raman, TEM and photoluminescence (PL) were analyzed to predict their structural, morphological and optical properties. Effects of Ni-doping with MoS2 on crystalline structure, morphology as well their optical phenomenon were examined in detail. Ni doping on MoS2 revealed tetragonal crystal structure of the parent compound. A significant decrease in their optical energy gap (from 1.86 to 1.76 eV) was perceived with Ni doping concentration increment. PL intensity exhibited a considerable improvement with Ni-doped MoS2 samples at room temperature. From a theoretical viewpoint, the compact density matrix method is applied for Ni–MoS2 to calculate their linear and nonlinear absorption coefficients as well as refractive index modulations for undoped and Ni-doped samples at the focal points of their corresponding intra-band and inter-band transitions. Observed findings are well correlated with the practical results which prove that Ni–MoS2 layers are promoters for potential applications in optoelectronic technology. [ABSTRACT FROM AUTHOR]

In this paper, we report the optoelectronic, thermoelectric properties and dynamic stability under the pressure of LiGaC half-Heusler within the Density Functional Theory (DFT) and semi-classical Boltzmann Transport Theory (BTT). The obtained results of the ground state show that the compound is structural, chemical, mechanical and dynamically stable in type I structure and maintains its stability under pressure. The obtained electronic properties reveal that the compound has a semiconducting nature with an indirect bandgap and the bandgap values slightly increase with pressure increase. The optical properties such as real and imaginary parts of dielectric function, refractive index and extinction coefficient, reflectivity and absorption coefficient and optical conductivity are calculated and discussed. The highest peaks of reflectivity and absorption coefficient are found in the ultra-violet (UV) region, suggesting that the compound LiGaC has a high potential for use in UV optoelectronic applications. The thermoelectric properties are also calculated in the temperature range from 300 K to 900 K and pressure range from 0 GPa to 40 GPa. At 300 K and for all pressures selected, the maximum value of figure of merit is close to unity. Finally, we could make our conclusion that LiGaC is well suitable for multiple optical and thermoelectric applications. [ABSTRACT FROM AUTHOR]

This research utilizes the bvp4c method to conduct a detailed numerical analysis of the hydrothermal behavior of magnetized hybrid nanofluids flowing across a permeable curved surface. The study explores the impact of crucial parameters such as curvature, magnetic field strength, viscosity and suction/injection, alongside the heat absorption coefficient, on the transport properties of copper (Cu) and ferric oxide (Fe3O4) nanomaterial’s suspended in water. Results reveal that as the curvature parameter increases, velocity profiles exhibit a decrease under suction conditions and an increase under injection conditions for both conventional and hybrid nanofluids. Furthermore, higher magnetic parameters are found to decrease velocities in general. Hybrid nanofluids display enhanced velocity and thermal performance compared to conventional nanofluids, manifesting higher skin friction and heat transfer rates. Temperature profiles exhibit a complex interplay with curvature, magnetic parameters and the injection/suction scenario, where injection conditions intensify thermal effects. The incorporation of the heat absorption coefficient further amplifies the thermal efficiency of hybrid nanofluids. These findings, supported by previous research, offer valuable insights for optimizing industrial processes, especially in sectors like ceramics, plastics and polymers, where efficient heat management is paramount. [ABSTRACT FROM AUTHOR]

Bamboo, which is called "green gold" because of its sustainability characteristics, has many wonderful properties that make it environmentally friendly. In this study, polyurethane (PU) composites used in the automotive industry were produced by adding different amounts of bamboo powders (1, 2.5, 5, 7.5, 10 and 15%, w/v) to PU foams. In this regard, density, light and stereomicroscopic analysis, thermal conductivity, spectroscopic analysis, and mechanical (compression) test have been performed. Further, sound absorption analysis and contact angle analysis have been carried out. Optical and stereomicroscopes showed average pore sizes with range of 258–482 µm. As the bamboo powder increased, the contact angle values decreased from 129 ° to 88 °. Compression force deflection values of the samples declined from 1850 to 360 g/cm2. Similar to the mechanical properties, the thermal conductivities of the PU foams decreased. However, in regards to FT‐IR, no chemical reactions were observed between PU matrix and bamboo powder. The sound absorption test results showed that bamboo powder filled PU foams are sound absorption materials and that rigid PU foam with 2.5% (w/v) (PU‐2.5) bamboo powder sample had better sound absorption properties than the bamboo‐powder‐unfilled rigid PU foam (PU‐0), with an average sound absorption coefficient value of 0.86 at 6300 Hz and 0.71 in the range of 1600–6300 Hz. [ABSTRACT FROM AUTHOR]

Bulk γ‐InSe has a direct bandgap of 1.24 eV, which corresponds to near infrared wavelengths (λ = 1.0 µm) useful in optoelectronic applications from biometric detectors to silicon photonics. However, its potential for optoelectronic applications is largely untapped due in part to the lack of quantitative studies of its optical properties. Here, the unusually low absorptance and high photoluminescence quantum efficiency of single‐crystalline InSe flakes with thickness in the hundreds of nanometers are studied. InSe emits brightly at room temperature from its direct bandgap with a peak photoluminescence quantum yield (PLQY) of 20%, despite displaying indirect bandgap like low absorption coefficient due to the symmetry of its crystal structure. By performing pump‐dependent PLQY measurements, the radiative and nonradiative recombination coefficients are extracted, including the Shockley‐Read‐Hall and Auger coefficients. Finally, a proof‐of‐concept alternating current electroluminescent device at low temperature is demonstrated to show the promise of InSe in optoelectronic technology such as highly transparent, bright NIR light sources. [ABSTRACT FROM AUTHOR]

ABSTRACT Thickness and optical constants of transparent conducting oxide (TCO) of metal oxide thin films have been commonly estimated by invoking theoretical models based on measured optical reflectance or transmittance. One of such widely employed models is reflectance‐based Kushev model. However, the relatively higher value of the absorption coefficient at the absorption edge of TCOs of metal oxide thin films results in a large deviation of their thickness values estimated by this model. To address the underlying problems, in the present work, we have improved the Kushev model. Specifically, for minimizing the error in the estimated thickness values from the proposed model, we have employed t test for discarding outliers of a set of thickness values of a given thin film, which were calculated from nearby extrema of a reflectance curve. Then the thickness calculated from model was validated by comparing the value of ZnO thin transparent films extracted from ellipsometric measurement. Our model shows excellent agreement with the thickness values of ZnO films from ellipsometric measurement with only 1.2% deviation. Furthermore, observed values were also compared with the values from already established Cauchy model. The perfectly matching of the simulated reflectance spectra from the present model with the measured reflectance and excellent agreement of thickness values derived from the ellipsometric measurements with the values extracted from the model may infer us that the present model is suitable for fairly accurately estimating film thicknesses of TCO thin films. [ABSTRACT FROM AUTHOR]

The significant progress of p‐type and n‐type active layer materials in the past several years has pushed the power conversion efficiency (PCE) of organic solar cells (OSCs) toward 19%. Due to the relatively low synthesis cost and simple synthesis method of carboxylate‐containing building blocks, including thiophene, thieno[3,2‐b]thiophene, thieno[3,4‐b]thiophene, furan, pyrazine, benzodithiophene, benzothiazole, quinoxaline, etc., are widely used to construct p‐type photovoltaic polymers. These resulting carboxylate‐bearing polymers present downward energy levels, high absorption coefficient, narrow bandgap, high hole mobility, and strong aggregation behavior, which have dabbled in the fabrication of mechanically stretchable, semitransparent, indoor, and tandem OSCs, etc., and produce excellent photovoltaic performance. The low‐cost carboxylate‐containing copolymers exhibit a satisfying PCE approaching 17%, and the random terpolymer systems achieve a high PCE over 19%. This review focuses on the progress of carboxylate‐containing photovoltaic polymers, summarizes the molecular characteristics, discusses their structure‐performance relationship, and offers a summary and outlook on the challenges for future molecular development. [ABSTRACT FROM AUTHOR]

Organic–inorganic hybrid halide perovskites have emerged as the most promising optoelectronic materials for next‐generation solution‐processed devices, primarily attributed to their distinctive properties such as cost‐effectiveness, facile fabrication process, high light absorption coefficient, tunable bandgap, and relatively high charge carrier mobility. Nevertheless, the presence of Pb elements is inevitable in most high‐performance perovskite optoelectronic devices, posing environmental pollution concerns and impeding their commercialization. In this study, two novel non‐toxic bismuth‐ and antimony‐based perovskite materials with environmentally conscious approaches are developed. Their structures and optoelectronic properties have been systematically characterized. Subsequently, photoconductive‐ and photodiode‐type photodetectors are designed and fabricated. Notably, the photodiode configuration exhibits exceptionally low dark current and noise, superior detection sensitivity, fast response speed, and good device stability. Owing to these superior performance metrics, the devices demonstrate great potential for real applications. Furthermore, this study furnishes a theoretical framework and design perspectives for the solution‐processed semiconductor materials. [ABSTRACT FROM AUTHOR]

In order to achieve broadband sound absorption, we propose a composite structure combining acoustic black holes (ABHs) and micro-perforated panels (MPPs). Here, we adopt both simulant and experimental methods to describe the sound transmission mechanism of the proposed composite ABH. This mechanism allows the ABH to have a sound absorption coefficient of over 0.8 in the range of 400–3200 Hz and above 0.7 between 250 Hz and 400 Hz. The total length of the proposed ABH is 155 mm, in which the thickness of the MPPs is 0.5 mm, the pore size is 0.3 mm and the porosity is 0.1 and 0.16, overcoming the length size and bandwidth limit for sound wave suppression in current ABHs. This work can further progress in elucidating the acoustic characteristics of ABH and open new avenues in ultra-broad-band sound wave control. [ABSTRACT FROM AUTHOR]

The hydrophobic reagent 6-hexyl-4-(2-thiazolylazo)resorcinol (HTAR) was investigated as part of a cloud-point extraction (CPE) system for the spectrophotometric determination of Zn(II). In the system, complexes with different stoichiometries, including 1:1 and 2:2 (Zn:HTAR), are formed. Their ground-state equilibrium geometries were optimized at the B3LYP/6-31G level of theory. The obtained structures were then used to calculate vertical excitation energies in order to generate theoretical UV/Vis absorption spectra. The comparison between theoretical and experimental spectra demonstrated that, under optimal conditions, a binuclear complex containing oxygen-bridging atoms is the dominant species. The absorbance was found to be linearly dependent on the concentration of Zn(II) within the range of 15.7 to 209 ng mL−1 (R2 = 0.9996). The fraction extracted (%E), logarithm of the conditional extraction constant (log Kex), and molar absorption coefficient (ε) at λmax = 553 nm were calculated to be 98.3%, 15.9, and 4.47 × 105 L mol−1 cm−1, respectively. The method developed is characterized by simplicity, convenience, profitability, sensitivity, and ecological friendliness. It has been successfully applied to the analysis of pharmaceutical and industrial samples. [ABSTRACT FROM AUTHOR]

Silole- and phosphole-containing polycyclic aromatic compounds have attracted significant attention in the field of organic functional materials. The structure of the aromatic units has great impact on the photophysical properties of the resulting silole- and phosphole-containing polycyclic aromatic compounds. Here, dibenzo-fused naphtho[2,3-b:6,7-b′]disilole (NDS) and naphtho[2,3-b:6,7-b′]diphosphole (NDP), where a naphthalene unit is arranged between two silole and phosphole units, respectively, were designed and synthesized. The solid-state structures of them were confirmed by X-ray crystallographic analysis. The photophysical properties were evaluated by UV−vis absorption and photoluminescence spectroscopies and compared with those of their related compounds, such as dibenzo-fused silolo[3,2-b]silole and benzo[1,2-b:4,5-b′]disilole, ever reported. The longest wavelength absorption band of a series of silole-fused compounds was found to be red-shifted in the order benzo[1,2-b:4,5-b′]disilole < NDS < silolo[3,2-b]silole derivatives. For a series of phosphole-fused compounds, π-extension from phospholo[3,2-b]phosphole to NDP derivatives induces the lower absorption coefficient of the longest wavelength absorption band and the red-shift of the second longest wavelength absorption band. Both NDS and NDP exhibit much lower fluorescence quantum yields than their related compounds. [ABSTRACT FROM AUTHOR]

Essential Climate Variables (ECVs) like ocean colour provide crucial information on the Optically Active Constituents (OACs) of seawater, such as phytoplankton, non-algal particles, and coloured dissolved organic matter (CDOM). The challenge in estimating these constituents through remote sensing is in accurately distinguishing and quantifying optical and biogeochemical properties, e.g., absorption coefficients and the concentration of chlorophyll a (Chla), especially in complex waters. This study evaluated the temporal and spatial variability of bio-optical properties in the coastal waters of the Western Iberian Coast (WIC), contributing to the assessment of satellite retrievals. In situ data from three oceanographic cruises conducted in 2019–2020 across different seasons were analyzed. Field-measured biogenic light absorption coefficients were compared to satellite estimates from Ocean-Colour Climate Change Initiative (OC-CCI) reflectance data using semi-analytical approaches (QAA, GSM, GIOP). Key findings indicate substantial variability in bio-optical properties across different seasons and regions. New bio-optical coefficients improved satellite data retrieval, reducing uncertainties and providing more reliable phytoplankton absorption estimates. These results highlight the need for region-specific algorithms to accurately capture the unique optical characteristics of coastal waters. Improved comprehension of bio-optical variability and retrieval techniques offers valuable insights for future research and coastal environment monitoring using satellite ocean colour data. [ABSTRACT FROM AUTHOR]

Diatomites are well-known mineral materials formed thousands of years ago from the skeletons of diatoms. They are found in many places around the world and have a wide range of applications. This article presents innovative research related to the possibility of using diatomite as a filler in composites to improve their sound absorption properties. The results of the study of the effect of diatomite processing (calcination) and its degree of fineness on the sound absorption coefficient of thermoplastic composites are presented. Three fractions of diatomite (0 ÷ 0.063 mm; 0.5 ÷ 3 mm; 2 ÷ 5 mm) and its variable mass proportion (0, 25, and 50 wt.%) were used. The composites were made with flax fibers as a reinforcement, polylactide as a matrix, and diatomite as an additional filler. This paper also presents the results of oxide chemical composition, diatomite mineral phase composition, morphology, and thermal conductivity coefficient of all diatomite fractions studied. In addition, the average particle size for diatomite powder was also determined. The most important of the studies was the determination of the acoustic properties of the aforementioned composites. As a result of the tests, it was found that the smallest fraction of diatomite particles and a variant without thermal treatment give the best effect in terms of sound absorption. [ABSTRACT FROM AUTHOR]

Material development in acoustic engineering plays a significant role in various applications, such as industrial noise control. It is important and relevant to consider alternative materials capable of reducing noise levels in different frequency ranges. One commonly used material in engineering structures is epoxy adhesive compositions. Favoring the use of adhesive compositions are their main characteristics, including weight reduction in structures, corrosion resistance, relatively low manufacturing costs, and high mechanical strength. This paper aims to discuss the relationship between the mechanical properties of modified epoxy adhesives, their structure, and sound absorption efficiency. The subjects of this study were specimens of an epoxy composition in the cured state. Acoustic absorption coefficients were evaluated using a dual-microphone impedance tube, and tensile, compressive, and bending strength properties were determined using a testing machine. The impact strength of the compositions was also investigated. An analysis of the structure of the adhesives in the cured state was carried out using a scanning electron microscope. The test specimens were made from Epidian 5 epoxy resin cured with a polyamide PAC curing agent. Nanobent ZR2 aluminosilicate in an amount of 1%, CaCO3 calcium carbonate in an amount of 5%, and CWZ-22 activated carbon in an amount of 20% were used as modifiers. The conducted studies revealed that the highest tensile strength was obtained for the adhesive composition with the addition of ZR2 filler. The highest compressive strength was exhibited by the adhesive composition with the addition of CWZ-22 filler. The highest flexural strength was demonstrated by the unmodified composition. For all the tested adhesive compositions, low sound absorption values were achieved, with a maximum of approximately 0.18. From the perspective of the reduction index R, it was observed that these samples performed better in reduction than in absorption. The best values were achieved in the compositions modified with CaCO3. [ABSTRACT FROM AUTHOR]

Nonlinear absorption coefficient and modulation depth stand as pivotal properties of nonlinear optical (NLO) materials, while the existing NLO materials exhibit limitations such as low nonlinear absorption coefficients and/or small modulation depths, thereby severely impeding their practical application. Here we unveil that introducing Jahn–Teller distortion in a Mott‐Hubbard system, (MA)2CuX4 (MA=methylammonium; X=Cl, Br) affords the simultaneous attainment of a giant nonlinear absorption coefficient and substantial modulation depth. The optimized compound, (MA)2CuCl4, demonstrates a nonlinear absorption coefficient of (1.5±0.08)×105 cm GW−1, a modulation depth of 60 %, and a relatively low optical limiting threshold of 1.22×10−5 J cm−2. These outstanding attributes surpass those of most reported NLO materials. Our investigation reveals that a more pronounced distortion of the [CuX6]4− octahedron emerges as a crucial factor in augmenting optical nonlinearity. Mechanism study involving structural and spectral characterization along with theoretical calculations indicates a correlation between the compelling performance and the Mott‐Hubbard band structure of the materials, coupled with the Jahn–Teller distortion‐induced d‐d transition. This study not only introduces a promising category of high‐performance NLO materials but also provides novel insights into enhancing the performance of such materials. [ABSTRACT FROM AUTHOR]

Nonlinear absorption coefficient and modulation depth stand as pivotal properties of nonlinear optical (NLO) materials, while the existing NLO materials exhibit limitations such as low nonlinear absorption coefficients and/or small modulation depths, thereby severely impeding their practical application. Here we unveil that introducing Jahn–Teller distortion in a Mott‐Hubbard system, (MA)2CuX4 (MA=methylammonium; X=Cl, Br) affords the simultaneous attainment of a giant nonlinear absorption coefficient and substantial modulation depth. The optimized compound, (MA)2CuCl4, demonstrates a nonlinear absorption coefficient of (1.5±0.08)×105 cm GW−1, a modulation depth of 60 %, and a relatively low optical limiting threshold of 1.22×10−5 J cm−2. These outstanding attributes surpass those of most reported NLO materials. Our investigation reveals that a more pronounced distortion of the [CuX6]4− octahedron emerges as a crucial factor in augmenting optical nonlinearity. Mechanism study involving structural and spectral characterization along with theoretical calculations indicates a correlation between the compelling performance and the Mott‐Hubbard band structure of the materials, coupled with the Jahn–Teller distortion‐induced d‐d transition. This study not only introduces a promising category of high‐performance NLO materials but also provides novel insights into enhancing the performance of such materials. [ABSTRACT FROM AUTHOR]

In the present communication, binary (ZnO:Ga 2 O 3 - 1:1 (ZGO), ZnO:Ga 2 O 3 - 2:1 (GaZn))/ternary (EZG (Eu 2 O 3 : ZnO: Ga 2 O 3 (1:1:1)), MZG (MgO: ZnO: Ga 2 O 3 (1:1:1)) NCs are synthesized by P i p e r b e t l e leaves extract as a reducing agent followed by calcination at 600 °C for 3 h. The Bragg reflections confirms the formation of single phase cubic symmetry with F d 3 m space group in ZGO NCs whereas reflections related individual metal oxides are observed in the GaZn, EZG and MZG NCs. The irregular size and shaped nanoparticles are observed in all the synthesized NCs. The tuned band gap was found to be in the range of 3.08 to 3.11 eV. The optical nonlinearity of the specimens was analyzed using the open aperture Z-scan technique. The material demonstrated reverse saturable absorption attributed to a two-photon absorption (2PA) process. The non linear absorption coefficient follows the order MZG > GaZn > ZGO > EZG. However, the optical limiting threshold follows the order ZGO > GaZn > MZG > EZG NCs with increase in energy band gap. These outcomes distinctly indicate the superior potential of GaZn binary NCs for optical limiting applications. This characteristic is advantageous for shielding sensors and the human eye, safeguarding them against the detrimental effects of intense green laser radiation. [ABSTRACT FROM AUTHOR]

In this paper, the geometric configuration, electronic properties, and optical characteristics of an InS/GaTe heterojunction have been computed using the foundational principles of density functional theory. The analysis indicates that when the interlayer distance is 3.88 Å, the binding energy is the most negative, indicating that the structure is the most stable. The bandgap of the two monolayers is larger than that of the heterojunction, which makes the photogenerated electrons of the heterojunction more easily excited. The InS/GaTe heterojunction is a type-II heterojunction that enhances the efficient dissociation of electron–hole pairs. In addition, the InS/GaTe heterojunction demonstrates strong absorption of ultraviolet light, rendering it suitable for applications in ultraviolet detectors and related fields. Furthermore, the bandgap electron transfer direction of the InS/GaTe heterojunction can be controlled by applying electrical force and mechanical pressure. The optical absorption coefficient of the InS/GaTe heterojunction can be adjusted to modify its optical properties. Finally, the possible future applications of the InS/GaTe heterojunction are discussed. [ABSTRACT FROM AUTHOR]

This study demonstrates the use of computational methods to simulate the molecular dynamics involved in hemoglobin concentration sensing, utilizing Material Studio and the TCAD Silvaco device simulator. A non-invasive and flexible Graphene/MoS2 heterostructure has been proposed for sensing hemoglobin concentration in blood samples. The findings reveal a notable shift in the wavelength-dependent refractive index and extinction coefficient, as well as significant changes in the absorption coefficient and reflectivity of the Graphene/MoS2 heterostructure in response to different hemoglobin concentrations, specifically within an approximate range of 0.3 μm to 1 μm. Moreover, the spectral response of the heterostructure demonstrates that at a particular wavelength of approximately 600 nm, a maximum response is obtained. This wavelength can be considered optimal for detecting various levels of hemoglobin using this heterostructure. The anticipated outcome is a comprehensive understanding of the fundamental principles, ultimately resulting in the development of an exceptionally sensitive platform for detecting hemoglobin concentration. [ABSTRACT FROM AUTHOR]

AbstractAn all-optical double-pass quartz enhanced photoacoustic spectroscopy (QEPAS) sensor for the detection of acetylene (C2H2) at part-per-billion (ppb) levels was developed and experimentally validated. By employing an erbium-doped fiber amplifier (EDFA) capable of emitting up to 1 W of optical power, a commercial quartz tuning fork (QTF) resonating at 30.7 kHz, and double-pass acoustic microresonators, the amplitude of the QEPAS signal was significantly enhanced, thereby improving the sensitivity of the C2H2-QEPAS sensor. Instead of using piezoelectric detection in conventional QEPAS, a highly sensitive fiber-optic Fabry–Perot interferometer (FPI) was employed to measure the vibration of the QTF prong. A working point self-stabilizing technique was exploited to improve the demodulation sensitivity and stability. The linear response of the sensor to laser power and C2H2 concentration confirmed that no saturation occurred. With an excitation laser power of 1 W and a C2H2 absorption line of 1532.83 nm, a C2H2 minimum detection limit (MDL) of 19.1 ppb was achieved, corresponding to a normalized noise equivalent absorption coefficient (NNEA) of 1.58 × 10−8 cm−1∙W∙Hz−1/2. Owing to its high sensitivity, long-term stability, and immunity to electromagnetic interferences, the QEPAS sensor provides considerable potential for remote gas sensing in environmental monitoring and other applications. [ABSTRACT FROM AUTHOR]

The performance of HfSSe/Arsenene van der Waals heterostructure in photocatalytic water splitting based on density functional theory (DFT) is investigated, in which the heterostructure is categorized into two configurations, S-As and Se-As, according to the distances of S and Se to the Arsenene layer. Calculations of the band structures, work functions, electron transfer, and band-edge position reveal that both the configurations are identified as direct Z-scheme heterojunction in photocatalysis. Moreover, the hydrogen evolution reaction (HER) occurs on the Arsenene surface, while the oxygen evolution reaction (OER) occurs on the HfSSe surface. After forming a monolayer HfSSe/Arsenene heterojunction, the carrier mobility of the system is increased. Furthermore, the optical properties of the system have been studied using the G 0 W 0 +BSE (Bethe-Salpeter equation) method, and the results show an increase in the absorption coefficient in both visible and ultraviolet regions. Additionally, the absorption coefficient of the heterostructure is significantly affected by conducting biaxial strains, thus further alters the reactivity of hydrogen evolution reaction and oxygen evolution reaction. • HfSSe can be combined with Arsenene to a stable HfSSe/Arsenene heterojunction. • Both S-As and Se-As heterojunctions are direct Z-scheme photocatalysts. • The heterojunctions has the appropriate overpotentials for the redox reactions. • Biaxial strain affects HER and OER reactivity. [ABSTRACT FROM AUTHOR]

In this paper, the structure and electronic properties of InP/PtS 2 heterojunction as well as the photocatalytic and solar hydrogen production efficiency are studied by first principles. Studies have shown that InP/PtS 2 heterojunction is type II band alignment, typical Z heterostructure, has strong light absorption coefficient in the absorption spectrumand, InP/PtS 2 heterojunction with an indirect bandgap of 1.97 eV，the band edge positions that meet the energy band prerequisites for water splitting across different pH levels，The band edge positions and light absorption capabilities have been modified through biaxial strain, with tensile strain enhancing the absorption capacity within the visible light spectrum ranging from 450 to 800 nm(nm). The InP/PtS 2 heterojunction achieves a solar-to-hydrogen conversion efficiency (ηSTH) of 32.5%, which is higher than that of most heterojunctions. The InP/PtS 2 heterojunction is anticipated to emerge as a promising contender for the next generation of photocatalysts. InP/PtS 2 heterojunction is a typical direct Z-scheme heterojunction, which can change its electronic and optical properties under strain, and may contribute to the fields of water splitting. The solar-to-hydrogen efficiency of the InP/PtS2 heterostructure can reached 32.5%. The absorption coefficient in the visible range is enhanced by the application of strain. [Display omitted] • Compared with InP monolayer and PtS 2 monolayer, InP/PtS 2 heterojunctions have better visible light absorption efficiency. • The InP/PtS 2 heterojunction achieves a solar-to-hydrogen conversion efficiency (ηSTH) of 32.5%, which is higher than that of most heterojunctions. [ABSTRACT FROM AUTHOR]

Significance: Developing stable, robust, and affordable tissue-mimicking phantoms is a prerequisite for any new clinical application within biomedical optics. To this end, a thorough understanding of the phantom structure and optical properties is paramount. Aim: We characterized the structural and optical properties of PlatSil SiliGlass phantoms using experimental and numerical approaches to examine the effects of phantom microstructure on their overall optical properties. Approach: We employed scanning electron microscope (SEM), hyperspectral imaging (HSI), and spectroscopy in combination with Mie theory modeling and inverse Monte Carlo to investigate the relationship between phantom constituent and overall phantom optical properties. Results: SEM revealed that microspheres had a broad range of sizes with average (13.47 ± 5.98) μm and were also aggregated, which may affect overall optical properties and warrants careful preparation to minimize these effects. Spectroscopy was used to measure pigment and SiliGlass absorption coefficient in the VIS-NIR range. Size distribution was used to calculate scattering coefficients and observe the impact of phantom microstructure on scattering properties. The results were surmised in an inverse problem solution that enabled absolute determination of component volume fractions that agree with values obtained during preparation and explained experimentally observed spectral features. HSI microscopy revealed pronounced single-scattering effects that agree with single-scattering events. Conclusions: We show that knowledge of phantom microstructure enables absolute measurements of phantom constitution without prior calibration. Further, we show a connection across different length scales where knowledge of precise phantom component constitution can help understand macroscopically observable optical properties. [ABSTRACT FROM AUTHOR]

The aim of this work is to study the optical properties of ZnSe/ZnS non-concentric core–shell quantum dots (CSQDs). The numerical method used in this work is based on a combination of coordinate transformation and finite difference method (FDM) to solve the three dimensions of the Schrödinger equation. The optical properties are obtained using the compact density matrix formalism. The influence of different dimensions of the non-concentric CSQD, the position of a core material and the effect of different values of the incident optical intensity I on the optical properties of the CSQD are investigated. The results obtained indicate that the oscillator strength, absorption coefficient and refractive index changes are strongly dependent on the size of the CSQD. The magnitude of both the total absorption coefficient and the refractive index decreased as the incident optical intensity increased. In addition, the resonance peaks for the absorption coefficient and refractive index changes shift towards higher energies when we move from concentric to non-concentric core–shell quantum dots. [ABSTRACT FROM AUTHOR]