Search

Gold nanoparticles synthesized via honey-mediated chemical reduction have desirable features that make them ideal candidates for nanoparticle-assisted photothermal therapy (N-PTT). However, their photothermal properties have not been previously explored. In this study, after synthesis and characterization (structural and optical) of the HM-AuNPs, we investigated their photothermal conversion efficiency (η) and absorption cross section (σ a b s ) in aqueous solution, cytotoxic effects in in vitro MDA-MB-468 breast cancer cell culture, and temperature profiles in agarose gel under 810 nm NIR irradiation. The results showed that ≈ 15 nm and primarily spherical HM-AuNPs had η values of up to 40% and an average σ a b s of 2.15 ± 0.08 × 10 − 18 m 2. Furthermore, cell viability was reduced to about 52% and the temperature profile in agarose gel had the typical radially increasing topology. Collectively, the findings show that HM-AuNPs can be used in N-PTT. [ABSTRACT FROM AUTHOR]

The high resolution Rydberg absorption spectrum of 2-butyne C4H6 recorded previously at the SOLEIL synchrotron facility has been interpreted using multichannel quantum defect theory (MQDT). The calculations are based on the continuum scattering calculations of Xu et al., J. Chem. Phys. 136, 154303 (2012) and of Jacovella et al., J. Phys. Chem. A 119, 12339 (2015) pertaining to the dipole-allowed excited state symmetries in absorption from the ground state. In contrast to the traditional approach of calculating low-lying electronic states first and then attempting to extend the calculations to ever higher energy, here the analysis proceeds through the extension of these detailed calculations of the electronic continuum scattering down into the discrete region of the spectrum. The continuum reaction matrices and dipole transition moments are adapted to the discrete Rydberg region via the use of an energy-modified formulation of MQDT theory and associated energy dependences of the quantum defects. The analysis reproduces more than 40 Rydberg states from n ≈ 10 down to the 3d and 4s levels with an rms error of better than 20 cm−1. These belong to five Rydberg series with three different molecular symmetries. While the approach predicts many additional series, most of these are calculated and observed to carry only little oscillator strength. The analysis shows that the Rydberg spectrum is dominated by the excitation of an e″ symmetry electron of fδ and gπ type, in line with what previous studies of the above-threshold shape resonance of 2-butyne have shown. The present study is intended to serve as an example showing how first principles continuum calculations may be useful for the interpretation of highly bound discrete states in a range that poses problems for the standard ab initio techniques. The quantitative treatment of the dipole absorption cross sections is deferred to a future paper. [ABSTRACT FROM AUTHOR]

Determining the correlation between the size of a single quantum dot (QD) and its photoluminescence (PL) properties is a challenging task. In the study, we determine the size of each QD by measuring its absorption cross section, which allows for accurate investigation of size-dependent PL blinking mechanisms and volume scaling of the biexciton Auger recombination at the single-particle level. A significant correlation between the blinking mechanism and QD size is observed under low excitation conditions. When the QD size is smaller than their Bohr diameter, single CsPbI3 perovskite QDs tend to exhibit BC-blinking, whereas they tend to exhibit Auger-blinking when the QD size exceeds their Bohr diameter. In addition, by extracting bright-state photons from the PL intensity trajectories, the effects of QD charging and surface defects on the biexcitons are effectively reduced. This allows for a more accurate measurement of the volume scaling of biexciton Auger recombination in weakly confined CsPbI3 perovskite QDs at the single-dot level, revealing a superlinear volume scaling (τXX,Auger ∝ σ1.96). [ABSTRACT FROM AUTHOR]

Entangled two-photon absorption (ETPA) could form the basis of nonlinear quantum spectroscopy at very low photon fluxes, since, at sufficiently low photon fluxes, ETPA scales linearly with the photon flux. When different pairs start to overlap temporally, accidental coincidences are thought to give rise to a "classical" quadratic scaling that dominates the signal at large photon fluxes and, thus, recovers a supposedly classical regime, where any quantum advantage is thought to be lost. Here, we scrutinize this assumption and demonstrate that quantum-enhanced absorption cross sections can persist even for very large photon numbers. To this end, we use a minimal model for quantum light, which can interpolate continuously between the entangled pair and a high-photon-flux limit, to analytically derive ETPA cross sections and the intensity crossover regime. We investigate the interplay between spectral and spatial degrees of freedom and how linewidth broadening of the sample impacts the experimentally achievable enhancement. [ABSTRACT FROM AUTHOR]

We conducted a study on the variations of the fragment anisotropy parameters (β) along the Fano profiles for the predissociation of the D2 molecule. These variations, known as β profiles, were measured for the D(2l) fragments from the predissociation of the 4 p π D ′ Π u 1 υ ′ = 1 and 4 p σ B ″ Σ u + 1 υ ′ = 2 states. The measured β profiles show significant asymmetry and broader linewidths compared to the corresponding Fano profiles. By fitting the β profiles, we were able to determine the fragment anisotropy parameters associated with the resonance state, continuum state, and the interference effect between them. Additionally, we determined the ratios of the absorption cross sections between the unperturbed and perturbed continuum states interacting with the resonance states although these ratios were found to be very small. Furthermore, we derived approximate formulas to calculate the parameters characterizing the β profile. Despite the linewidths of the four Fano profiles being narrower than our instrumental resolution, we were still able to determine the product of the linewidth with the Fano q parameters. These findings demonstrate the utility of the β profile as an effective tool for studying the predissociation dynamics in diatomic molecules. [ABSTRACT FROM AUTHOR]

Resonant intermediate states have been proposed to increase the efficiency of entangled two-photon absorption (ETPA). Although resonance-enhanced ETPA (r-ETPA) has been demonstrated in atomic systems using bright squeezed vacuum, it has not been studied in organic molecules. We investigate for the first time r-ETPA in an organic molecular dye, indocyanine green (ICG), when excited by broadband entangled photons in near-IR. Similar to many reported virtual state mediated ETPA (v-ETPA) measurements, no r-ETPA signals are measured, with an experimental upper bound for the cross section placed at 6(±2) × 10−23 cm2. In addition, the classical resonance-enhanced two-photon absorption (r-TPA) cross section of ICG at 800 nm is measured for the first time to be 20(±13) GM, where 1 GM equals 10−50 cm4 s, suggesting that having a resonant intermediate state does not significantly enhance two-photon processes in ICG. The spectrotemporally resolved emission signatures of ICG excited by entangled photons are also presented to support this conclusion. [ABSTRACT FROM AUTHOR]

We present a detailed theoretical analysis of polarized absorption spectra and linear dichroism of cyanine dye aggregates whose unit cells contain two molecules. The studied threadlike ordered system with a molecular exciton delocalized along its axis can be treated as two chains of conventional molecular aggregates, rotated relative to each other at a certain angle around the aggregate axis. Our approach is based on the general formulas for the effective cross section of light absorption by a molecular aggregate and key points of the molecular exciton theory. We have developed a self-consistent theory for describing the orientational effects in the absorption and dichroic spectra of such supramolecular structures with nonplanar unit cell. It is shown that the spectral behavior of such systems exhibits considerable distinctions from that of conventional cyanine dye aggregates. They consist in the strong dependence of the relative intensities of the J- and H-type spectral bands of the aggregate with a nonplanar unit cell on the angles determining the mutual orientations of the transition dipole moments of constituting molecules and the aggregate axis as well as on the polarization direction of incident light. The derived formulas are reduced to the well-known analytical expressions in the particular case of aggregates with one molecule in the unit cell. The calculations performed within the framework of our excitonic theory combined with available vibronic theory allow us to quite reasonably explain the experimental data for the pseudoisocyanine bromide dye aggregate. [ABSTRACT FROM AUTHOR]

The pressing need for the enhancement of stealth materials that are harmonious with state-of-the-art military equipment is critical, as it plays a pivotal role in bolstering the survivability and operational capabilities of advanced military technology. This research offers a straightforward approach for fabricating a gradient triple-layer absorber utilizing a Cu 2 O/ h -BN nanocomposite and FeCoNi magnetic compounds, characterized by reduced thickness, designed for X-band wave spectrum attenuation purposes. The primary objective of this study is to examine the electromagnetic wave absorption characteristics of single-layer samples and subsequently develop a triple-layer gradient sample with distinct electromagnetic wave stealth features based on the findings. Optimal performance was observed in the gradient sample, where Cu 2 O/ h -BN nanocomposite with 20 and 10 wt% was incorporated as a matching layer with thicknesses of 0.5 and 0.5 mm, respectively, and FeCoNi with 20 wt% was employed as an absorbing layer with a 0.4 mm thickness, surpassing the performance of the other samples. The optimal sample achieves a dissipation loss of −45.6 dB and a bandwidth of 2.9 GHz, all while maintaining a total thickness of just 1.4 mm. Facilitating multiple heterogeneous interfaces among layers, substances, and the synergistic interaction between constituent elements and layers' thickness and arrangement enable this gradient configuration to demonstrate exceptional performance in radar stealth compatibility. [ABSTRACT FROM AUTHOR]

Previous modeling studies have not properly explained the measured mass absorption cross section (MAC) at 550 nm, the linear backscattering depolarization ratio (LDR) at 355 and 532 nm, and the scattering matrix of soot at 532 nm. In this work, we attempt to use a black carbon (BC) model with an intrinsic organic carbon (OC) coating to explain the large MAC, large LDR, and measured scattering matrix. Our results show that the bare fractal BC model is not able to explain MAC, LDR, and scattering matrix simultaneously and that the modeling values do not cover the measurement range. This study shows that the modeled LDR and scattering matrix can cover the measurement range if we constrain the MAC of the BC in the measurement range by the intrinsic OC coating when we consider the effects of monomer radius, monomer number, and monomer overlap simultaneously. Therefore, intrinsic OC coating can be a significant source of uncertainty in the optical properties of fresh soot. Plain Language Summary: Since soot is the most important absorbing particle in the atmosphere, an accurate calculation of the optical properties of soot is of great importance for climate assessment and remote sensing. However, some of the observed optical properties of soot are difficult to explain with current models. In this study, a black carbon (BC) model with an intrinsic organic carbon (OC) coating is used to explain these difficult‐to‐explain optical properties. The results show that the simulated mass absorption cross section (MAC), linear backscattering depolarization ratio (LDR), and scattering matrix are difficult to explain when only the influence of BC is considered, although the effects of monomer size, monomer number, and monomer overlap are taken into account. Range of observation. However, after accounting for the intrinsic OC coating, the model is able to account for the range of realistic optical observations. Therefore, the intrinsic OC coating may be responsible for some optical properties that are difficult to explain with the current models. Key Points: The model of pure black carbon (BC) has difficulty explaining some optical observations of sootWe have proposed a soot model consisting of a BC core and an intrinsic organic carbon (OC) shellThe intrinsic OC coating may be a cause of some unexplained optical properties in current models [ABSTRACT FROM AUTHOR]

Absorption spectra and cross-sections of Diisopropyl Methylphosphonate (DIMP) are measured in argon at temperatures of 600–1250 K in a shock tube using rapid scanning, broadband absorption spectroscopy. Measurements are obtained at approximately 2.3 kHz with each complete scan of the 925–1350 wavenumber band taking 90 microseconds. This technique enables spectra behind incident and reflected shocks to be obtained in a single test. In addition, multiple spectra are obtained behind the reflected shock during the test time. A significant reduction in absorption cross section with temperature is observed, and the spectra taken during the test time show no decomposition or significant changes, suggesting that vibrational equilibrium is achieved. [ABSTRACT FROM AUTHOR]

Low temperature combined with low light (LL) is an important factor limiting pepper quality and yield. 'Hang Jiao No. 2′ were used as experimental materials, and different concentrations of MeJA (T1 (0 μM), T2 (100 μM), T3 (150 μM), T4 (200 μM), T5 (250 μM) and T6 (300 μM)) were sprayed under LL stress to explore the positive effect of exogenous methyl jasmonate (MeJA) on peppers under LL stress. The photosynthetic properties, osmoregulatory substance, reactive oxygen species, antioxidant enzyme activities, and related gene expressions of the peppers were measured. Our results demonstrated that 200 μM MeJA treatment significantly increased chlorophyll content, light quantum flux per active RC electron transfer (Eto/RC), maximum captured photonic flux per active RC (TRo/RC), energy flux for electron transfer in the excitation cross section (Eto/CSm), energy flux captured by absorption in the excitation cross section (TRo/CSm), soluble protein, and soluble sugar content. Moreover, it significantly improved the maximum photochemical efficiency of PSII (Fv/Fm) and performance index based on absorbed light energy (PI (abs)) by 56.77% and 67.00%, respectively, and significantly decreased malondialdehyde (MDA) content and relative conductivity by 30.55% and 28.17%, respectively. Additionally, antioxidant enzyme activities were elevated, and the expression of the related genes was activated in pepper seedlings under stress, leading to a significant reduction in reactive oxygen species content. In conclusion, our findings confirmed that 200 μM MeJA could reduce the injury of LL to pepper leaves to the photosynthetic organs of pepper leaves, protect the integrity of the cell membrane, and further improve the tolerance of pepper seedlings to LL. [ABSTRACT FROM AUTHOR]

Two‐photon excited fluorescence is a process in which the excited fluorophore relaxes and emits fluorescence after two‐photon absorption. Combined with appropriate two‐photon fluorescent probes, two‐photon microscopy enables observation deep inside tissue without damage. Former reports showed that the two‐photon absorption cross sections of donor–acceptor (D–A) dipoles, as well as D‐π‐D and D–A–D quadrupoles can be strengthened by using strong D–A groups. In this study, a novel water‐soluble fluorescent probe with D‐π‐A structure containing pyridine‐2,6‐dicarboxylic acid unit was synthesized. The maximum excitation wavelength and emission wavelength of the probe in aqueous solution were 328 nm and 471 nm, respectively. The fluorescence emitted by the probe can be quenched by various metal cations. The pyridyl N and carboxyl O in the probe formed chelates with Cu2+, which resulted in a fluorescence quenching response, and showed a linear relationship between fluorescent intensity and Cu2+ concentration with wide linear range and low limit of detection. CCK‐8 tests showed the probe had no obvious toxicity to 4T1 cells in the range of 0.4–50 μmol L−1, and the cell survival rate was above 86 %. The probe had a large two‐photon absorption cross section ranging from 680 nm to 820 nm. The two‐photon absorption cross section reached 100 GM at 760 nm of excitation wavelength. By means of microscopic imaging of 4T1 cells stained with the probe, one‐photon fluorescence represented blue emission, while two‐photon fluorescence represented bright green emission. The probe was proved to have good cell permeability, and preferred to target nucleus, showing application potential in two‐photon fluorescence imaging technology. [ABSTRACT FROM AUTHOR]

Triphenylamine‐sensitized 8‐dimethylaminoquinoline (TAQ) probes showed fair two‐photon absorption and fragmentation cross sections in releasing kainate and GABA ligands. The water‐soluble PEG and TEG‐analogs allowed cell internalization and efficient light‐gated liberation of the rhodamine reporter under UV and two‐photon (NIR) irradiation conditions. [ABSTRACT FROM AUTHOR]

Highly efficient and spectrally pure single photon sources are desirable in fundamental studies of quantum physics and in many varied applications like in quantum metrology and quantum cryptography. 2D semiconductor colloidal quantum wells (CQWs) are quite appropriate as nanoscale photon sources because of their giant oscillator strengths and large absorption cross sections. The integration of such sources with dielectric metasurfaces exhibiting narrow resonances provides an excellent platform for highly efficient light‐matter interactions and the development of on‐chip light sources with high spectral purity. Here details on the use of capillary filling method are reported to achieve photonic coupling of CQWs to a metasurface resonator (MSR) featuring a square‐lattice geometry of holes on a slab‐waveguide to achieve strongly enhanced and almost spectrally pure emission of ≈3% of the original out‐of‐plane emission line‐width of the quantum emitters at room temperature. Long‐range exciton‐mediated photon transport facilitated by in‐plane slab waveguide modes is demonstrated and a theoretical basis to explain all the experimental data including that in terms of the MSR‐modified Lamb shifts and Purcell decays is provided. The results demonstrate a new platform with emergent photonic properties and suggest possibility of their use in on‐chip photonic quantum information processing. [ABSTRACT FROM AUTHOR]

The differentially pumped rare‐gas filter at the end of the VUV beamline of the Swiss Light Source has been adapted to house a windowless absorption cell for gases. Absorption spectra can be recorded from 7 eV to up to 21 eV photon energies routinely, as shown by a new water and nitrous oxide absorption spectrum. By and large, the spectra agree with previously published ones both in terms of resonance energies and absorption cross sections, but that of N2O exhibits a small shift in the band and tentative fine structures that have not yet been fully described. This setup will facilitate the measurement of absorption spectra in the VUV above the absorption edge of LiF and MgF2 windows. It will also allow us to carry out condensed‐phase measurements on thin liquid sheets and solid films. Further development options are discussed, including the recording of temperature‐dependent absorption spectra, a stationary gas cell for calibration measurements, and the improvement of the photon energy resolution. [ABSTRACT FROM AUTHOR]

The NIRR-1 went through conversion from highly enrich uranium HEU to low enriched Uranium LEU fuel. The design of the fuel core is such that the cladding materials have been changed from aluminum to zirconium. The cladding materials may likely experience neutron dose which is susceptible to degradation of the materials. Hence, the needs to ascertain the level of degradation of the materials are crucial. Therefore, we calculate the reaction cross section of Al and Zr target with EMPIRE 3.2.3 modular nuclear reaction code. The calculated results were compared with measured data from EXFOR and the Evaluated Nuclear Data (ENDF). Comparative assessment of neutronic impact of Al and Zr used in the high and low enrich uranium fuel in NIRR-1 were carry out by compared cross section of Al with Zr results in the reaction channel relevance to the cladding materials. The results show that 90Zr(n, el) have high mean cross section of 1720.30 mb and 90Zr(n, y) with lower mean cross section of 0.54 mb while 27Al(n, p) and 27Al(n, y) high and low mean cross section is 482.5 mb and 0.022 mb respectively. It was observed that Zr target absorption cross section is better compared to Al target. This indicates that Zr has proven higher resistance to corrosion and longevity in terms of degradation as cladding materials. [ABSTRACT FROM AUTHOR]

Upconversion luminescence (UCL) has great potential for highly sensitive biosensing due to its unique wavelength shift properties. The main limitation of UCL is its low quantum efficiency, which is typically compensated using low-noise detectors and high-intensity excitation. In this work, we demonstrate surface plasmon polariton (SPP)-enhanced UCL for biosensing applications. SPPs are excited by using a gold grating. The gold grating is optimized to match the SPP resonance with the absorption wavelength of upconverting nanoparticles (UCNPs). Functionalized UCNPs conjugated with antibodies are immobilized on the surface of the fabricated gold grating. We achieve an UCL enhancement up to 65 times at low excitation power density. This enhancement results from the increase in the absorption cross section of UCNPs caused by the SPP coupling on the grating surface. Computationally, we investigated a slight quenching effect in the emission process with UCNPs near gold surfaces. The experimental observations were in good agreement with the simulation results. The work enables UCL-based assays with reduced excitation intensity that are needed, for example, in scanning-free imaging. [ABSTRACT FROM AUTHOR]

Phytoplankton photosynthesis is the first step of energy capture in the open ocean and is therefore fundamental for global biogeochemical processes and ecosystem functioning. High‐resolution methods are required to fully capture the variability of marine photosynthesis and its environmental drivers. Here, we combine two high‐resolution underway methods to study phytoplankton photophysiology, Fast Repetition Rate fluorometry and Flow Cytometry, along a transect in the North‐East Atlantic Ocean from the polar circle to the equator. Significant spatial distinctions in photophysiological strategies were found between biogeographical provinces. The most pronounced distinction was present between the subarctic North Atlantic and the oligotrophic subtropical gyre, where the latter was typified by high photosystem II (PSII) turnover rates, low pigment‐to‐cell volume ratios, low PSII quantum efficiency and low absorption cross sections for photochemistry in PSII. Small‐scale variability along the transect results from varying diel cycles in photophysiology, possibly governed by light availability and cell metabolism. In general, we found that variability in PSII photochemistry was associated with variability in sea surface temperature, whereas the median mixed layer irradiance could explain more of the variation in the light harvesting capacity of the phytoplankton community. This implies that the expected climate change driven shoaling of the mixed layer may impact phytoplankton light harvesting strategies. Plain Language Summary: Marine photosynthesis is the basis of life in the ocean and therefore plays a fundamental role in the worlds' largest ecosystem. Phytoplankton adjust their photosynthesis to different environmental conditions, such as nutrients and light. Here, we combine data from two high‐resolution methods to study phytoplankton in the eastern North Atlantic Ocean from the polar circle to the equator. We show that the photosynthesis of phytoplankton differs between oceanographic regions and that daily cycles as well as environmental drivers play a role in the observed variability in marine photosynthesis. These insights are important to improve our predictions and understanding of the effects of climate change on marine ecosystems and biological productivity. Key Points: Combining underway methods on a small sailing sampling platform allows for high‐resolution characterization of phytoplankton photophysiologyDistinct photophysiological adaptation per marine biogeographical province reflects prevailing geochemical conditions across spatio‐temporal scalesNon‐linear relationships between photophysiology and environmental variables were present with superimposed diel trends [ABSTRACT FROM AUTHOR]

A two-component contour deformation (CD) based GW method that employs frequency sampling to drastically reduce the computational effort when assessing quasiparticle states far away from the Fermi level is outlined. Compared to the canonical CD-GW method, computational scaling is reduced by an order of magnitude without sacrificing accuracy. This allows for an efficient calculation of core ionization energies. The improved computational efficiency is used to provide benchmarks for core ionized states, comparing the performance of 15 density functional approximations as Kohn–Sham starting points for GW calculations on a set of 65 core ionization energies of 32 small molecules. Contrary to valence states, GW calculations on core states prefer functionals with only a moderate amount of Hartree–Fock exchange. Moreover, modern ab initio local hybrid functionals are also shown to provide excellent generalized Kohn–Sham references for core GW calculations. Furthermore, the core–valence separated Bethe–Salpeter equation (CVS-BSE) is outlined. CVS-BSE is a convenient tool to probe core excited states. The latter is tested on a set of 40 core excitations of eight small inorganic molecules. Results from the CVS-BSE method for excitation energies and the corresponding absorption cross sections are found to be in excellent agreement with those of reference damped response BSE calculations. [ABSTRACT FROM AUTHOR]

Modeling atmospheric black carbon (BC) aerosol optical properties remains largely uncertain due to their complex mixing states, nonsphericity, and heterogeneity of coating distribution. Although there exist numerical models with realistic BC morphologies, these models are mostly limited to particle‐scale studies and have not been coupled to large‐scale atmospheric or climate models. In this study, a multidimensional parameterization scheme is developed by an accurate numerical algorithm for BC optical property calculation in global climate models, by incorporating their mixing state and nonspherical structure as well as heterogeneous coating distribution. The scheme was coupled and tested with the Community Atmosphere Model version 6 (CAM6) by a weighted averaging algorithm for individual particles and integration for particle ensembles. The simulation results indicate that BC morphology has a limited influence on the aerosol absorption cross section (Cabs), and the differences in Cabs between irregularly coated fractal aggregates and ideal core‐shell spherical (CS) counterparts are ∼3% on average. However, the relative positions between the BC core and coating parts may introduce Cabs variations of up to 69% as compared with the CS results. The BC mixing state introduce ∼20% relative variations in the global average aerosol absorption optical depth, which is comparable to that of heterogeneity of coating distribution and three times greater than that of particle nonsphericity. Furthermore, the normalized mean biases of modeled single scattering coalbedo (1−SSA, i.e., the ratio of absorption to extinction) compared to those observed in BC‐rich regions are reduced by 20%∼80% when applying our new parameterization in CAM6. Plain Language Summary: Atmospheric black carbon (BC) aerosols strongly absorb light, but large uncertainties remain in regard to their optical properties. Realistic and complex BC morphologies could be modeled using accurate numerical algorithms in aerosol optical simulations. However, for regional or global weather or climate simulations with large spatial‐temporal scales, models mostly simplify BC as spherical particles homogeneously mixed with other components for a sake of computational efficiency. To better account for BC optical properties with complex BC morphological and inhomogeneous properties in a large‐scale model, we develop a multidimensional optical parameterization for mixed BC based on a global atmospheric model. Our results indicate that the influence of the mixing model on the BC absorption optical depth is comparable to that of the inhomogeneous mass distribution in aerosol populations, and both are approximately three times greater than that due to nonspherical particle structure. To evaluate the performance of our aerosol optical parameterization, the in situ observations are also utilized. The results demonstrate a noteworthy improvement in modeled aerosol absorptions, as the modeled values more closely align with values derived from the observed data, both at specific locations and at the global scale. Key Points: A data set for parameterizing the optical properties of black carbon (BC) with complex inhomogeneous and nonspherical structures is builtThe biases of CAM6‐modeled aerosol absorption‐to‐extinction ratios are reduced by 20%–80% by applying our BC optical modelThe influences of the BC mixing state and heterogeneity on BC AAOD are approximately three times greater than those of BC nonsphericity [ABSTRACT FROM AUTHOR]

The commonly used automotive head‐up display (HUD) technology is confronted with the problems of poor stability in organic resin counterpart and the unsatisfactory display effect of projection lighting source. To solve these issues, developing state‐of‐the‐art materials and designing new HUD schemes with a wide color gamut is of necessity. Herein, a series of pure red/green/blue (R/G/B) upconverting (UC) nano‐glass‐ceramics (GCs) containing lanthanide‐doped NaLuF4 nanocrystals (NCs) are synthesized in a cost‐effective, environment‐friendly, and scalable manner, simultaneously achieving high crystallinity (≈45.44%) and high transparency (>80%). Yb3+ is chosen as the sensitizer to Tm3+ (blue UC)/Ho3+ (green UC), due to its large absorption cross section from ground state 2F7/2 to excited state 2F5/2; meanwhile Er3+, Tm3+ co‐doped into NCs can obtain pure red UC emission via promoting the population of Er3+ red‐emitting 4F9/2 state. Consequently, the as‐prepared materials exhibit high R/G/B color purity of > 80% owing to the energy transfer between different lanthanide ions (Yb3+, Tm3+, Ho3+, and Er3+) upon 980 nm near‐infrared (NIR) laser excitation, and possess superior thermal reversibility/water resistivity. Remarkably, two unprecedented HUD prototypes are constructed to demonstrate the application feasibility of developed pure R/G/B UC GCs. [ABSTRACT FROM AUTHOR]

Lanthanide ions-doped fluoride nanocrystals have excellent application prospect. However, low photoluminescence quantum yield (PLQY) is usually along with lanthanide ions-doped fluoride nanocrystals owing to their low molar absorptivity and narrow absorption band. In order to increase the absorption cross section of Ln3+ in fluoride nanocrystals, a facile synthesis strategy to enhance luminescence of AF 2 : Ln3+ (A = Ca, Sr; Ln = Eu, Tb) by the use of carbon dots (CDs) has been developed in this work. A series of characterizations including TEM, XRD, FTIR and XPS demonstrated that the CDs have been successfully combined with the surface of AF 2 : Ln3+ nanocrystals. The combination of CDs has little influence on the microstructure and phase structure of AF 2 : Ln3+, and CDs@AF 2 : Ln3+ nanocrystals have uniform and regular shape with cubic phase. CDs are used as a broadband sensitizer and lead to the broadband excitation of Ln3+, resulting in the enhancement around 10-fold of Ln3+ luminescence emission in AF 2 : Ln3+ nanocrystals after CDs combination. The corresponding PLQY increases almost three times, and the luminescence enhancement mechanism by combining CDs is proposed. In addition, the CDs@AF 2 : Ln3+ nanocrystals are used to prepare CDs@AF 2 : Ln3+/PVA films, which exhibits excellent luminescence properties under the excitation of UV light. This work provides a superior method for enhancing the luminescence properties of lanthanide ions-doped nanocomposites and demonstrates practical potential as promising candidates for light-converting thin films. [Display omitted] • CDs can be as a broadband sensitizer to increase the absorption cross section of Ln3+ in AF 2 : Ln3+ nanocrystals. • The fluorescence emission of AF 2 : Ln3+ (A = Ca, Sr; Ln = Eu, Tb) increases by about 10 times by combining CDs. • CDs are able to capture the electrons of Ln3+ and transfer energy to Ln3+ in AF 2 : Ln3+ nanocrystals. • CDs@AF 2 : Eu3+/PVA film can be fabricated and converts UV to red light. [ABSTRACT FROM AUTHOR]

The kinetic study of the gas-phase reactions of hydroxyl (OH) radicals and chlorine (Cl) atoms with CF3CHFCF2OCH3 (HFE-356mec3) and CHF2CHFOCF3 (HFE-236ea1) was performed by the pulsed laser photolysis/laser-induced fluorescence technique and a relative method by using Fourier Transform infrared (FTIR) spectroscopy as detection technique. The temperature dependences of the OH-rate coefficients (kOH(T) in cm3s−1) between 263 and 353 K are well described by the following expressions: 9.93 × 10–13exp{-(988 ± 35)/T}for HFE-356mec3 and 4.75 × 10−13exp{-(1285 ± 22)/T} for HFE-236ea1. Under NOx-free conditions, the rate coefficients kCl at 298 K and 1013 mbar (760 Torr) of air were determined to be (2.30 ± 1.08) × 10–13 cm3s−1and (1.19 ± 0.10) × 10–15 cm3s–1, for HFE-356mec3 and HFE-236ea1, respectively. Additionally, the relative kinetic study of the Cl + CH2ClCHCl2 reaction was investigated at 298 K, as it was used as a reference reaction in the kinetic study of the Cl-reaction with HFE-356mec3 and discrepant rate coefficients were found in the literature. The global atmospheric lifetimes were estimated relative to CH3CCl3 at the tropospheric mean temperature (272 K) as 1.4 and 8.6 years for HFE-356mec3 and HFE-236ea1, respectively. These values combined with the radiative efficiencies for HFE-356mec3 and HFE-236ea1 derived from the measured IR absorption cross sections (0.27 and 0.41 W m−2 ppv−1) yield global warming potentials at a 100-yrs time horizon of 143 and 1473, respectively. The contribution of HFE-356mec3 and HFE-236ea1 to global warming of the atmosphere would be large if they become widespread increasing their atmospheric concentration. [ABSTRACT FROM AUTHOR]

Surface-enhanced infrared absorption (SEIRA) spectroscopy exploits the field enhancement near nanophotonic structures for highly sensitive characterization of (bio)molecules. The vibrational signature observed in SEIRA spectra is typically interpreted as field-enhanced molecular absorption. Here, we study molecular vibrations in the near field of single antennas and show that the vibrational signature can be equally well explained by field-enhanced molecular scattering. Although the infrared scattering cross section of molecules is negligible compared to their absorption cross section, the interference between the molecular-scattered field and the incident field enhances the spectral signature caused by molecular vibrational scattering by 10 orders of magnitude, thus becoming as large as that of field-enhanced molecular absorption. We provide experimental evidence that field-enhanced molecular scattering can be measured, scales in intensity with the fourth power of the local field enhancement and fully explains the vibrational signature in SEIRA spectra in both magnitude and line shape. Our work may open new paths for developing highly sensitive SEIRA sensors that exploit the presented scattering concept. The authors study molecular vibrations in the near field of single antennas, showing that the vibrational signature in SEIRA spectra can be explained by field-enhanced molecular scattering. This opens pathways for the development of sensitive SEIRA sensors exploiting this concept. [ABSTRACT FROM AUTHOR]

Biogenic hydrocarbons are emitted into the Earth's atmosphere by terrestrial vegetation as by‐products of photosynthesis. Isoprene is one such hydrocarbon and is the second most abundant volatile organic compound emitted into the atmosphere (after methane). Reaction with ozone represents an important atmospheric sink for isoprene removal, forming carbonyl oxides (Criegee intermediates) with extended conjugation. In this manuscript, we argue that the extended conjugation of these Criegee intermediates enables electronic excitation of these compounds, on timescales that are competitive with their slow unimolecular decay and bimolecular chemistry. We show that the complexation of methacrolein oxide with water enhances the absorption cross section of the otherwise dark S1 state, potentially revealing a new avenue for forming lower volatility compounds via tropospherically relevant photochemistry. [ABSTRACT FROM AUTHOR]

This paper investigates a hybrid coupled plasmonic gas sensor with stacked gold-SiO2 layers for air-quality monitoring. The gas absorption characteristics of hybrid-stacked layers sensors are studied and compared with single-layer sensors. Gases with different refractive indexes changing from 1 to 1.4 are studied. The total absorption radar cross section (ACS) has increased from 1.681 × 105 nm2 for single-layer sensors to 5.021 × 105 nm2 for hybrid stacked layers sensors. A graphene monolayer is used to enhance the total gas absorption. It acts as an insulator to the dipole sensor. The lumped-element equivalent circuit is developed using a particle swarm optimization technique (PSO). The sensitivity is 788 nm/RIU for the single-layer sensor and 910 nm/RIU for the hybrid-stacked layers sensor with a graphene monolayer placed as a cover for the plasmonic dipole. A polarization-insensitive sensor concerning the direction of the electric field (single layer/hybrid-stacked layers) is constructed from 45° quad-rotated dipole arms of sensors. The total ACS is enhanced to 2.31 × 105 nm2 for the polarization-insensitive single-layer sensor and 6.76 × 105 nm2 for the polarization-insensitive hybrid-stacked layers sensor. Planar arrays of 3 × 3, 4 × 4, and 5 × 5 elements of the last sensor are investigated for absorption and sensitivity enhancement. Ethanol, acetone, nitrogen dioxide, and toluene gases are tested with a total ACS peak value of 8.7 × 106 nm2. The sensitivity is 895.5 nm/RIU for 4 × 4 array elements. [ABSTRACT FROM AUTHOR]

Black carbon (BC) is one of the most important climate forcers with severe health effects. Large uncertainties in radiative forcing estimation and health impact assessment arise from the fact that there is no standardized method to measure BC mass concentration. This study presents a 2-year comparison of three state-of-the-art BC measurement techniques at the high-altitude research station Pic du Midi (PDM) located in the French Pyrenees at an altitude of 2877 m above sea level. A recently upgraded Aethalometer AE33, a thermal-optical analyser Sunset and a single-particle soot photometer SP2 were deployed to measure simultaneously the mass concentration of equivalent black carbon (MeBC), elemental carbon (MEC) and refractory black carbon (MrBC), respectively. Significant deviations in the response of the instruments were observed. All techniques responded to seasonal variations in the atmospheric changes in BC levels and exhibited good correlation during the whole study period. This indicates that the different instruments quantified the same particle type despite the fact that they are based on different physical principles. However the slopes and correlation coefficients varied between instrument pairs. The largest biases were observed for the AE33 with MeBC values that were around 2 times greater than MrBC and MEC values. The principal reasons of such large discrepancy were explained by the mass absorption cross section (MAC) that was too low and C values recommended by the AE33 manufacturer and applied to the absorption coefficients measured by the AE33. In addition, the long-range transport of dust particles at PDM in spring caused significant increases in the bias between AE33 and SP2 by up to a factor 8. The Sunset MEC measurements agreed within around 17 % with the SP2 MrBC values. The largest overestimations of MEC were observed when the total carbon concentrations were below 25 µgCcm-2 , which is probably linked to the incorrect determination of the organic carbon (OC)–EC split point. Another cause of the discrepancy between instruments was found to be the limited detection range of the SP2, which did not allow for the total detection of fine rBC particles. The procedure used to estimate the missing mass fraction of rBC not covered by the measurement range of the SP2 was found to be critical. We found that a time-dependent correction based on fitting the observed rBC size distribution with a multimodal lognormal distribution is needed to accurately estimate MrBC over a larger size range. [ABSTRACT FROM AUTHOR]

The improved contribution function (ICF) method based on generalized perturbation theory (GPT) is applied to the compression of CINDER90 depletion library. A series of representative problems for PWR are defined with different fuel materials and operation conditions. According to the characteristics that the reactivity indicator is only meaningful in the neutron radiation calculation while the decay heat indicator is affected by both radiation and decay stage, the ICF method is adopted in the selection of candidate nuclides, then actinides and fission product nuclides of compressed system are obtained. In addition, the absorber nuclides of the compressed system are identified by analyzing the depletion process of the poison with a large absorption cross section separately. Finally, a compressed depletion library consisting of 489 nuclides is generated. The numerical results show that the compressed library maintains high precision in the calculation of k‐inf, nuclide concentration, decay heat power, and pin power. Meanwhile, the use of compressed depletion library leads to a significant reduction of computing resources. [ABSTRACT FROM AUTHOR]

Using fluorescence spectroscopy, the two-photon absorption cross sections of aqueous solutions of the styryl dye trans-4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide (DASPI) and its inclusion complexes with cucurbit[n]urils (CB[n] n = 6–8) have been measured. A nonmonotonic dependence of the cross section on the excitation wavelength and on the cavitand cavity size has been revealed. Compared to the free dye, a sevenfold increase in the two-photon absorption cross section has been observed in DASPI inclusion complexes with CB[8] at an excitation wavelength of 980 nm. [ABSTRACT FROM AUTHOR]

2,3-Bis[5-(pyren-1-yl)thiophen-2-yl]quinoxalines and 2,3-bis{5-[4-(9H-carbazol-9-yl)phenyl]thiophen-2-yl}pyrazino[2,3-f][1,10]phenanthroline were synthesized. One- and two-photon absorption and emission of the compounds were studied, the cross sections of the two-photon absorption were found to be equal to 101–476 GM in THF. Fluorescent responses of pyrene-containing fluorophores and dipyrido-annelated quinoxaline to nitroaromatic compounds and metal cations, respectively, were investigated. [ABSTRACT FROM AUTHOR]

The equation-of-motion coupled-cluster singles and doubles method with double electron attachment (EOM-DEA-CCSD) is capable of computing reliable energies, wave functions, and first-order properties of excited states in diradicals and polyenes that have a significant doubly excited character with respect to the ground state, without the need for including the computationally expensive triple excitations. Here, we extend the capabilities of the EOM-DEA-CCSD method to the calculations of a multiphoton property, two-photon absorption (2PA) cross sections. Closed-form expressions for the 2PA cross sections are derived within the expectation-value approach using response wave functions. We analyze the performance of this new implementation by comparing the EOM-DEA-CCSD energies and 2PA cross sections with those computed using the CC3 quadratic response theory approach. As benchmark systems, we consider transitions to the states with doubly excited character in twisted ethene and in polyenes, for which EOM-EE-CCSD (EOM-CCSD for excitation energies) performs poorly. The EOM-DEA-CCSD 2PA cross sections are comparable with the CC3 results for twisted ethene; however, the discrepancies between the two methods are large for hexatriene. The observed trends are explained by configurational analysis of the 2PA channels. [ABSTRACT FROM AUTHOR]

Mixed ionic–electronic conductor materials are exploited in energy storage and conversion applications, and, more recently, in emerging ionic thin film devices with distinctive electronic and optical functionalities, that impels studying their properties and, in particular, electrical transport mechanisms. Electrical and optical characterization methods, for instance, relaxation experiments under a small step variation in the mobile ion activity, are routinely used to study transport properties of mixed ionic–electronic conductors. In this work, we develop a theoretical basis for a synchronous electro-optical characterization method that enables fast measurement of the ionic and electronic (small polaron) mobilities, absorption cross section, and defect concentration in mixed ionic–electronic conductors with hopping transport. [ABSTRACT FROM AUTHOR]

Zirconium carbide (ZrC) ceramics have a high melting point, low neutron absorption cross section, and excellent resistance to the impact of fission products and are considered to be one of the best candidate materials for fourth-generation nuclear energy systems. ZrC ceramics with a high relative density of 99.1% were successfully prepared via pressureless sintering using a small amount of MoSi2 as an additive. The influence of the MoSi2 content on the densification behavior, microstructure, mechanical properties, and thermal properties of ZrC ceramics was systematically investigated. The results show that the densification of ZrC was significantly enhanced by the introduction of MoSi2 due to the formation of a liquid phase during sintering. In addition, the ZrC grains were refined due to the pinning effect of the generated silicon carbide. The flexural strength and Vickers hardness of ZrC ceramics with 2.5 vol% MoSi2 sintered at 1850 °C were 408 ± 12 MPa and 17.1 GPa, respectively, which were approximately 30% and 10% higher compared to the samples without the addition of MoSi2. The improved mechanical properties were mainly attributed to the high relative density (99.1%) and refined microstructure. [ABSTRACT FROM AUTHOR]

Long-term measurements of the mass concentration of black carbon (BC) in the atmosphere (MBC) with well-constrained accuracy are indispensable to quantify its emission, transport, and deposition. The aerosol light absorption coefficient (babs), usually measured by a filter-based absorption photometer, including an Aethalometer (AE), is often used to estimate MBC. The measured babs is converted to MBC by assuming a value for the mass absorption cross section (MAC). Previously, we derived the MAC for AE (MAC (AE)) from measured babs and independently measured MBC values at two sites in the Arctic. MBC was measured with a filter-based absorption photometer with a heated inlet (COSMOS). The accuracy of the COSMOS-derived MBC (MBC (COSMOS)) was within about 15%. Here, we obtained additional MAC (AE) measurements to improve understanding of its variability and uncertainty. We measured babs (AE) and MBC (COSMOS) at Alert (2018–2020), Barrow (2012–2022), Ny-Ålesund (2012–2019), and Pallas (2019–2022). At Pallas, we also obtained four-wavelength photoacoustic aerosol absorption spectrometer (PAAS-4λ) measurements of babs. babs (AE) and MBC (COSMOS) were tightly correlated; the average MAC (AE) at the four sites was 11.4 ± 1.2 m2 g−1 (mean ± 1σ) at 590 nm and 7.76 ± 0.73 m2 g−1 at 880 nm. The spatial variability of MAC (AE) was about 11% (1σ), and its year-to-year variability was about 18%. We compared MAC (AE) in the Arctic with values at mid-latitudes, measured by previous studies, and with values obtained by using other types of filter-based absorption photometer, and PAAS-4λ. Copyright © 2024 American Association for Aerosol Research [ABSTRACT FROM AUTHOR]

Quantifying the optical extinction cross section of a single plasmonic nanoparticle (NP) has recently emerged as a powerful method to characterize the NP morphometry, i.e., size and shape, with a precision comparable to electron microscopy while using a simple optical microscope. Here, we enhance the capabilities of extinction microscopy by introducing a high numerical aperture annular illumination coupled with a radial polarizer to generate a strong axial polarization component. This enables us to probe the NP response to axial polarized light, and, in turn, to distinguish flat-lying nanoplates from other geometries. Polarization-resolved optical extinction cross sections were acquired on 219 individual colloidal silver NPs of a nominally triangular nanoplate shape but, in practice, exhibiting heterogeneous morphometries, including decahedrons and non-plate spheroids. An unsupervised machine learning cluster analysis algorithm was developed, which allowed us to separate NPs into different groups, owing to the measured differences in cross sections. Comparison of the measurements with a computational model of the absorption and scattering cross section accounting for nanoplates of varying geometries beyond simple triangles provided insight into the NP shape of each group. The results provide a significant improvement of polarization-resolved optical extinction microscopy to reconstruct NP shapes, further boosting the utility of the method as an alternative to electron microscopy analysis. [ABSTRACT FROM AUTHOR]

Comparisons between total ozone column (TOC) measurements from ground-based Dobson and Brewer spectrophotometers and from various satellite instruments generally reveal seasonally varying differences of a few percent. A large part of these differences has been attributed to the operationally used Bass and Paur ozone cross sections and the lack of accounting for varying stratospheric temperatures in the standard total ozone retrieval for Dobson. This paper demonstrates how the use of new ozone absorption cross sections from the University of Bremen (Weber et al., 2016), as recommended by the Absorption Cross Sections of Ozone (ACSO) committee; the application of appropriate slit functions, especially for the Dobson instrument (Bernhard et al., 2005); and the use of climatological values for the effective ozone layer temperature (Teff), e.g., from TEMIS (Tropospheric Emission Monitoring Internet Service), essentially eliminate these seasonally varying differences between Brewer and Dobson total ozone data (to generally less than ±0.5 %). For Hohenpeissenberg, the previous seasonal difference (close to 0 % in summer and up to 2.5 % in winter) is reduced to less than ±0.5 % year-round. Implementing this approach to the existing global network of Dobson spectrometers will reduce the overall uncertainty in their total ozone data from 3 % to 4 % previously to under 2 % at most locations. [ABSTRACT FROM AUTHOR]

Black carbon (BC) is a major component of sub-micron particulate matter (PM) with significant health and climate impacts. Many cities in emerging countries lack comprehensive knowledge about BC emissions and exposure levels. This study investigates BC concentration levels, identify its emission sources, and characterize the optical properties of BC at urban background sites of the two largest high-altitude Bolivian cities: La Paz (LP) (3600 m above sea level) and El Alto (EA) (4050 m a.s.l.) where atmospheric oxygen levels and intense radiation may affect BC production. The study relies on concurrent measurements of equivalent black carbon (eBC), elemental carbon (EC), and refractory black carbon (rBC), and their comparison with analogous data collected at the nearby Global Atmosphere Watch-Chacaltaya station (5240 m a.s.l). The performance of two independent source-apportionment techniques was compared: a bilinear model and a least squares multilinear regression (MLR). Maximum eBC concentrations were observed during the local dry season (LP: eBC=1.5±1.6 μg m-3; EA: 1.9±2.0 μg m-3). While eBC concentrations are lower at the mountain station, daily transport from urban areas is evident. Average mass absorption cross sections of 6.6-8.2 m2 g-1 were found in the urban area at 637 nm. Both source apportionment methods exhibited a reasonable level of agreement in the contribution of biomass burning (BB) to absorption. The MLR method allowed the estimation of the contribution and the source-specific optical properties for multiple sources including open waste burning. [ABSTRACT FROM AUTHOR]

Ytterbium ion doped calcium niobium gallium garnet crystal (Yb: Ca3 (NbGa)5 O12) was successfully grown by Bridgman method. The structure of the crystal was analyzed by XRD. The crystal is cubic crystal system, and the unit cell parameter a = b = c = 12.471 Å. The crystal was tested by Raman spectroscopy, transmission spectroscopy, absorption and emission spectroscopy, and fluorescence lifetime. The absorption cross section, emission cross section, and gain cross section of the crystal were calculated. The effects of annealing in air on the absorption spectrum, emission spectrum and fluorescence lifetime of the crystal were studied. The absorption cross section at 935 nm before annealing is 1.82 x 10-20 cm², and it decreases to 1.40 x10-20 cm² after annealing. The emission cross section at 1 031 nm before annealing is 0.56 x10-20 cm² and it decreases to 0.40 x 10-20 cm² after annealing. The fluorescence decay time before annealing is 1.42 ms, and it is 1.32 ms after annealing. The results demonstrate that the annealing of Yb:Ca3 (NbGa)5 O12 single crystal in air will adversely affect the laser performance of the crystal.Yb:Ca3(NbGa)5O12 crystal. [ABSTRACT FROM AUTHOR]

Oxyfluoride transparent glass‐ceramics (GC) are widely used as the matrix for rare‐earth (RE) ions due to their unique properties such as low phonon energy, high transmittance, and high solubility for RE ions. Tb3+ doped oxyfluoride glasses exhibit a large absorption cross section for ultraviolet (UV) excitation, high stability, high photoluminescence quantum efficiency, and sensitive spectral conversion characteristics, making them promising candidate materials for use as the spectral converter in UV photodetectors. Herein, a Tb3+ doped oxyfluoride GC is developed by using the melt‐quenching method, and the microstructure and optical properties of the GC sample are carefully investigated. By combining with a Si‐based photo‐resistor,a solar‐blind UV detector is fabricated, which exhibits a significant photoelectric response with a broad detection range from 188 to 400 nm. The results indicate that the designed UV photodetector is of great significance for the development of solar‐blind UV detectors. [ABSTRACT FROM AUTHOR]

In this work, the quasinormal mode, greybody factors, and absorption cross section of de Sitter Reissner‐Nordström black hole surrounded by quintessence field in Rastall gravity are studied. The violation of energy‐momentum conservation has a non‐linear effect on the quasinormal modes. With an increase in the black hole charge, both real parts of quasinormal modes i.e. oscillation frequency of ring‐down Gravitational Waves (GWs) and damping or decay rate of GWs increase non‐linearly. A similar observation is made for the black hole structural parameter also, however in this case the variation is almost linear. The remnant mass of a black hole depends on different physical parameters of a black hole. In the case of greybody factors also, both parameters have similar impacts are observed. With an increase in these parameters, greybody factors decrease. Moreover, the null geodesics and the impact of Rastall gravity on the light trajectory are also investigated. Our study suggests that the presence of a surrounding quintessence field may shadow the existence of black hole charges in such black hole configurations. [ABSTRACT FROM AUTHOR]

We describe an approach to incorporating the physical effects of the absorption of energy by the event horizon of black holes in the scattering amplitudes based post-Minkowskian, point-particle effective description. Absorptive dynamics are incorporated in a model-independent way by coupling the usual point-particle description to an invisible sector of gapless internal degrees-of-freedom. The leading order dynamics of this sector are encoded in the low-energy expansion of a spectral density function obtained by matching an absorption cross section in the ultraviolet description. This information is then recycled using the scattering amplitudes based Kosower-Maybee-O'Connell in-in formalism to calculate the leading absorptive contribution to the impulse and change in rest mass of a Schwarzschild black hole scattering with a second compact body sourcing a massless scalar, electromagnetic or gravitational field. The results obtained are in complete agreement with previous worldline Schwinger-Keldysh calculations and provide an alternative on-shell scattering amplitudes approach to incorporating horizon absorption effects in the gravitational two-body problem. [ABSTRACT FROM AUTHOR]

We investigate molecular plasmonic excitations sustained in hollow spherical gold nanoparticles using time-dependent density functional theory (TD-DFT). Specifically, we consider Au60 spherical, hollow molecules as a toy model for single-shell plasmonic molecules. To quantify the plasmonic character of the excitations obtained from TD-DFT, the energy-based plasmonicity index is generalized to the framework of DFT, validated on simple systems such as the sodium Na20 chain and the silver Ag20 compound, and subsequently successfully applied to more complex molecules. We also compare the quantum mechanical TD-DFT simulations to those obtained from a classical Mie theory that relies on macroscopic electrodynamics to model the light–matter interaction. This comparison allows us to distinguish those features that can be explained classically from those that require a quantum-mechanical treatment. Finally, a double-shell system obtained by placing a C60 buckyball inside the hollow spherical gold particle is further considered. It is found that the double-shell, while increasing the overall plasmonic character of the excitations, leads to significantly lowered absorption cross sections. [ABSTRACT FROM AUTHOR]

The nonlinear optical limiting (OL) property of tin phthalocyanine porous organic frameworks (Sn-Pc-POFs) dispersion in the nanosecond regime was studied, which showed excellent dispersibility and stability as well as a low OL threshold. To clarify the nonlinear optical response mechanisms in the material, the energy level structure of Sn-Pc-POFs was simulated using the density functional theory calculation, and the photoinduced carrier dynamics was studied using femtosecond time-resolved transient absorption spectroscopy. The results indicated that the large absorption cross section and long lifetime of the excited state were responsible for the excellent OL property of the material. [ABSTRACT FROM AUTHOR]

Photon upconversion, particularly via triplet–triplet annihilation (TTA), could prove beneficial in expanding the efficiencies and overall impacts of optoelectronic devices across a multitude of technologies. The recent development of bulk metal halide perovskites as triplet sensitizers is one potential step toward the industrialization of upconversion-enabled devices. Here, we investigate the impact of varying additions of bromide into a lead iodide perovskite thin film on the TTA upconversion process in the annihilator molecule rubrene. We find an interplay between the bromide content and the overall device efficiency. In particular, a higher bromide content results in higher internal upconversion efficiencies enabled by more efficient charge extraction at the interface likely due to a more favorable band alignment. However, the external upconversion efficiency decreases as the absorption cross section in the near infrared is reduced. The highest upconversion performance is found in our study for a bromide content of 5%. This result can be traced back to a high absorption cross section in the near infrared and higher photoluminescence quantum yield in comparison to the iodide-only perovskite and an increased driving force for charge transfer. [ABSTRACT FROM AUTHOR]

In this paper, Er3+ doped TeO 2 -ZnF 2 -BaF 2 -KF-Ta 2 O 5 tellurite glasses with low hydroxyl content (∼0.03 × 10−19 cm−3) were investigated employing both glass composition and glass melting process optimization. The Raman spectra and physical properties were characterized to analyze the structure of the glasses. Under the pumping of 980 nm LD laser, intense up-conversion fluorescence at 1.5 and 2.7 μm of samples and their lifetimes were detected and analyzed, and the related transition mechanisms with gradient-varying Er3+ doping concentrations were discussed. The maximum absorption and emission cross section at 2.7 μm was calculated to be 6.4 × 10−21 cm2 and 6.8 × 10−21 cm2, correspondingly, which were higher than those of traditional tellurite glasses. Using the calculated and measured spectroscopic parameters of bulk tellurite glass, a dual-wavelength pumping model was established to verify the feasibility of mid-infrared laser output in similar tellurite glass fiber. Experimental results support the assertion that the Er3+ doped tellurite glasses hold promise as a candidate laser gain medium for mid-infrared fiber laser systems. [ABSTRACT FROM AUTHOR]

Chlorophyll fluorescence-based estimates of primary productivity typically include dark or low-light pre-treatments to relax non-photochemical quenching (NPQ), a process that influences the relationship between PSII photochemistry and fluorescence yields. The time-scales of NPQ relaxation vary significantly between phytoplankton taxa and across environmental conditions, creating uncertainty in field-based productivity measurements derived from fluorescence. To address this practical challenge, we used fast repetition rate fluorometry to characterize NPQ relaxation kinetics in Arctic Ocean phytoplankton assemblages across a range of hydrographic regimes. Applying numerical fits to our data, we derived NPQ relaxation life times, and determined the relative contributions of various quenching components to the total NPQ signature across the different assemblages. Relaxation kinetics were best described as a combination of fast-, intermediate- and slow-relaxing processes, operating on time-scales of seconds, minutes, and hours, respectively. Across sampling locations and depths, total fluorescence quenching was dominated by the intermediate quenching component. Our results demonstrated an average NPQ relaxation life time of 20 ± 1.9 min, with faster relaxation among high light acclimated surface samples relative to lowlight acclimated sub-surface samples. We also used our results to examine the influence of NPQ relaxation on estimates of photosynthetic electron transport rates (ETR), testing the commonly held assumption that NPQ exerts proportional effects on light absorption (PSII functional absorption cross section, σPSII) and photochemical quantum efficiency (FV/FM). This assumption was violated in a number of phytoplankton assemblages that showed a significant decoupling of σPSII and FV/FM during NPQ relaxation, and an associated variability in ETR estimates. Decoupling of σPSII and FV/FM was most prevalent in samples displaying symptoms photoinhibition. Our results provide insights into the mechanisms and kinetics of NPQ in Arctic phytoplankton assemblages, with important implications for the use of FRRF to derive non-invasive, high-resolution estimates of photosynthetic activity in polar marine waters. [ABSTRACT FROM AUTHOR]

The photoluminescence spectra of the dominant H3 and H4 centers in a natural diamond sample, which is preliminarily characterized by optical and infrared spectrophotometry, are excited by femtosecond laser pulses with a wavelength of 470 nm and varying intensity. Saturation of the photoluminescence intensity of the H3 and H4 centers normalized by the intensity of laser radiation is observed and attributed to the saturation of the resonance transition responsible for the excitation. This makes it possible for the first time to estimate the absorption cross sections of H3 and H4 centers, which can be compared with values known from the literature and those determined from photoluminescence kinetics. The total concentration of H3 and H4 centers can then be found. Taking into account the known absorption coefficient of the sample at a wavelength of 470 nm and the previously established ratio of the contributions from H3 and H4 centers, their concentrations have been estimated separately for the first time. [ABSTRACT FROM AUTHOR]

LiH is valued by researchers and engineers for its high-temperature resistance, high strength, high hydrogen storage capacity of up to 12.6 wt%, and high neutron absorption cross section. However, sintering and application of this material are difficult. Lithium hydride is a highly effective neutron shielding material. The neutron shielding ability of lithium hydride is directly affected by the homogeneity of the total amount and distribution of hydrogen. The heat migration of hydrogen reduces the neutron shielding effectiveness of lithium hydride. It is critical to forecast H's diffusion behavior. The diffusion coefficient is a critical metric for determining the diffusion efficiency. As a result, the stability, electronic structure, and bonding properties of LiH, LiOH, and H entering the tetrahedral interstitial sites of LiH were calculated using first principles based on density functional theory (DFT). The elastic modulus of the system was also examined to find the lowest thermal conductivity, and some thermodynamic parameters were derived by calculating LiH phonons. Finally, static calculations were used to determine the diffusion coefficient and diffusion activation energy of H in the LiH solid solution. The results revealed that the addition of H altered the characteristics of the LiH semiconductor, giving it metallic features. The lowest thermal conductivity of the LiH system was 2.9. W·m−1 K−1. The diffusion coefficient was D = (2.638 × 10 − 2 c m 2 / s ) exp ( − 5.811 × 10 − 3 cal / K B T). The activation energy for diffusion was 0.252 eV. The diffusion coefficients, elastic constants, and lattice parameters all corresponded well with previously published results. The density functional theory was employed to study the material's system energy and electrical structure, and the microscopic migratory behavior of hydrogen was predicted theoretically. The calculation of the lowest thermal conductivity provided a reference for the screening of ceramic materials. • First-principles calculations can allow for a better understanding of the H diffusion mechanism in LiH materials. • Diffusion from the LiH surface to the interior of the material requires greater energy drive. • The introduction of interstitial H atoms can make LiH have metal properties. • The lowest thermal conductivity of the material can provide a reference for the selection of ceramic materials. • LiOH is more thermally stable than LiH. [ABSTRACT FROM AUTHOR]

Oxazolones or azlactones are small heterocyclic systems that can be easily functionalized with a double bond directly attached to their structure. In addition, they can be substituted on the opposite side of the heterocycle with styrenyl groups to extend their conjugation. This allows for versatile tuning of their linear and non‐linear optical properties. In this work, eight doubly substituted oxazolones including different push‐pull or pull‐pull designs were synthesized, and their linear and non‐linear photophysical properties were studied. As we show, the two‐photon activity of these systems is dependent on the donor‐acceptor pattern, where a methoxy substitution on the styrene end of the molecule and an acetyl group on the other end shows two‐photon Z‐E conversion properties with an important two photon absorption cross section of 308 GM. Most oxazolones shown in this study undergo picosecond relaxation to the electronic ground state, releasing the biphotonic energy to their surrounding environment. The results obtained in this work are indicative of potential applications of these molecules in schemes where high spatial patterning or thermalization is required. [ABSTRACT FROM AUTHOR]

A disordered Nd:SrLaGaO4 (Nd:SLG) laser crystal was successfully grown via the Czochralski (CZ) technique. The crystal structure, refractive index, polarized absorption spectra, and stimulated emission spectra were measured. The spectroscopic properties were studied intensively with the Judd–Ofelt (J-O) theory. The maximum absorption cross sections of π- and σ-polarization at 806 nm were calculated to be 3.73 × 10−20 and 4.05 × 10−20 cm2, corresponding to FWHMs of 6.00 and 6.10 nm, respectively. The maximum emission cross sections of π- and σ-polarization at 1076 nm were 3.97 × 10−20 and 4.12 × 10−20 cm2, with FWHMs of 30.21 and 19.44 nm, respectively. The decay life of the Nd3+:4F3/2 energy level was fitted to be 0.152 ms, and the fluorescence quantum efficiency was 72.72%. The inhomogeneous broadening in spectra benefiting from the disordered structure indicates the Nd:SLG crystal is a promising gain medium for ultrafast laser and tunable laser generations in the near infrared region. [ABSTRACT FROM AUTHOR]