The optical properties of nano-structural α-Fe2O3 dependence on the shape.

Three different crystal morphologies of α-Fe2O3, including uniform hexagonal, square, and rhombic shapes, were prepared according to the aqueous-thermal reaction. The hexagonal-shaped α-Fe2O3 was enclosed by the 104 plane, while the square and rhombic structures were enclosed by the 110 plane. Two absorption peaks at 455 and 532 cm-1 were found for the perpendicular (⊥) modes, and one absorption peak at 650 cm-1 appeared for the parallel (||) mode for hexagon-shaped α-Fe2O3 during analysis by Fourier-transform infrared spectroscopy. However, the peaks of square- and rhombic-shaped α-Fe2O3 for perpendicular (⊥) mode blueshifted, and the former two peaks merged together forming a broad band at approximately 480 cm-1. For Raman spectra determination, the peaks arose from the Brillouin zone center, and two additional peaks were observed at 660 and 1320 cm-1, belonging to 1 longitudinal optical (1LO) and 2 longitudinal optical (2LO) modes. All three materials exhibited higher intensities when excited at a wavelength of 633 cm-1. Furthermore, in the polarization state, the centers of all peak positions slightly shifted for hexagon-shaped α-Fe2O3, but all peak positions for square-shaped and rhombic-shaped α-Fe2O3 exhibited a significant blueshift. The structure of hexagon-shaped α-Fe2O3 was relatively tolerant regarding the polarization properties of vibration modes; however, the symmetry of crystal square-shaped and rhombic-shaped α-Fe2O3 changed, subsequently revealing different optical properties. RESEARCH HIGHLIGHTS: The hexagon-shaped, square-shaped, and rhombic-shaped α-Fe2O3 enclosed by different planes were synthesized. The Fourier Transform Infrared spectrometer peaks of α-Fe2O3 depended on their hexagon, square and rhombic shapes. Compared with hexagon-shaped α-Fe2O3, the Raman peaks for square and rhombi ones significantly shifted. The hexagon-shaped α-Fe2O3 is relatively tolerant regarding the polarization properties.

Metal-Organic Frameworks as a Thermal Emitter for High-Performance Passive Radiative Cooling.

Passive radiative cooling represents a transformative approach to achieving sustainable cooling on Earth without relying on energy consumption. In this research, the optical characteristics of five readily accessible metal-organic frameworks (MOFs): ZIF-67(Co), MOF-74(Ni), HKUST-1(Cu), MOF-801(Zr), and UiO-66(Zr) are meticulously explored. The objective is to identify the pivotal factors that influence their ability to facilitate radiative cooling. Through an in-depth analysis encompassing spectroscopic features, surface texture, and porosity, it is found that the MOFs' cooling efficacy is largely influenced by their optical bandgaps and functional groups, although other factors like chemical composition and structural characteristics remain to be considered. Notably, UiO-66(Zr) emerged as the standout performer, boasting an impressive solar reflectance of 91% and a mid-infrared emissivity of 96.8%. Remarkably, a fabric treated with UiO-66(Zr) achieved a substantial sub-ambient cooling effect, lowering temperatures by up to 5 °C and delivering a cooling power of 26 W m-2 at 300 K. The findings underscore the vast potential of MOFs in offering new opportunities to advance passive radiative cooling technologies, paving the way for their extensive application in this field.

Axially-Polarized Excitonic Series and Anisotropic van der Waals Stacked Heterojunction in a Quasi-1D Layered Transition-Metal Trichalcogenide.

Anisotropic optical 2D materials are crucial for achieving multiple-quanta functions within quantum materials, which enables the fabrication of axially polarized electronic and optoelectronic devices. In this work, multiple excitonic emissions owning polarization-sensitive orientations are clearly detected in a multilayered quasi-1D ZrS3 nanoribbon with respect to the nanostripe edge. Four excitons denoted as AS1, AS2, AS, and A2 with E ⊥ b polarized direction and one prominent A1 exciton with E || b polarized emission are simultaneously detected in the polarized micro-photoluminescence (µPL) measurement of 1.9-2.2 eV at 10 K. In contrast to light emission, polarized micro-thermoreflectance (µTR) measurements are performed to identify the polarization dependence and verify the excitons in the multilayered ZrS3 nanoribbon from the perspective of light absorption. At 10 K, a prominent and broadened peak on the lower-energy side, containing an indirect resonant emission (DI) observed by µPL and an indirect defect-bound exciton peak (AInd) observed by both µPL and µTR, is simultaneously detected, confirming the existence of a quasi-direct band edge in ZrS3. A van der Waals stacked p-GaSe/n-ZrS3 heterojunction solar cell is fabricated, which demonstrates a maximum axially-polarized conversion efficiency up to 0.412% as the E || b polarized light incident onto the device.

Copper Functionalized SnSe Nanoflakes Enabling Nonlinear Optical Features for Ultrafast Photonics.

This study enhances the ultrafast photonics application of tin selenide (SnSe) nanoflakes via copper (Cu) functionalization to overcome challenges such as low conductivity and weak near-infrared (NIR) absorption. Cu functionalization enhances concentration, induces strain, and reduces the bandgap through Sn substitution and Sn vacancy filling with Cu ions. Demonstrated by density functional theory calculations and experimental analyses, Cu-functionalized SnSe exhibits improved NIR optical absorption and superior third-order nonlinear optical properties. Z-scan measurements and femtosecond transient absorption spectroscopy reveal better performance of Cu-functionalized SnSe in terms of nonlinear optical properties and shorter carrier relaxation times compared to pristine SnSe. Furthermore, saturable absorbers based on both SnSe types, when integrated into an erbium-doped fiber laser, show that Cu functionalization leads to a decrease in pulse duration to 798 fs and an increase in 3 dB spectral bandwidth to 3.44 nm. Additionally, it enables stable harmonic mode-locking of bound-state solitons. This work suggests a new direction for improving wide bandgap 2D materials by highlighting the enhanced nonlinear optical properties and potential of Cu-functionalized SnSe in ultrafast photonics.

Effect of artificial aging on optical properties of ultra-translucent zirconia ceramics of different brands.

OBJECTIVES: This work aimed to evaluate the effect of artificial aging on the translucency and color difference (ΔE) of ultra-translucent zirconia and provide a reference for clinical application. METHODS: The discs of ultra-translucent zirconia from six brands (Wieland, 3M ESPE, Amann Girrbach, Kuraray Noritake, Upcera, and Besmile) were cut and sintered according to each manufacturer's product instructions; the experimental groups were named ZNT, LVP, AG, KAT, UPC, and BSM, respectively. IPS e.max Press was used as the control group (PLT). The specimens (n=6) were prepared with a diameter of 14 mm and a thickness of 1 mm. The specimens were subjected to artificial aging treatment according to the following conditions: in an autoclave at 134 ℃ at 0.2 MPa for 4, 8, and 12 h. According to the CIE1976Lab system, the CIE L*, a*, and b* values of the specimens before and after aging were measured by a co-lorimeter. The translucency parameter (TP) and ΔE were calculated. RESULTS: The mean TP values of each group before aging inorder were PLT>KAT>AG>ZNT>BSM>UPC>LVP. We found no significant difference in translucency in all experimental groups after aging for 4 and 8 h compared with those before aging. After 12 h of aging, the TP values of the KAT and ZNT groups were not significantly different from those before aging, but the TP values of the AG, BSM, LVP, and UPC groups were significantly lower than those before aging (P<0.05). The TP value of the control group was significantly higher than that of the other experimental groups at different stages (P<0.05). ΔE=3.3 was considered the visible color difference, and ΔE was less than 3.3 in all groups after 4 h of aging. After aging for 8 h, ΔE of the UPC group was slightly higher than 3.3. ΔE of the BSM and UPC groups was greater than 3.3 after 12 h of aging. CONCLUSIONS: The TP and ΔE of different brands of ultra-translucent zirconia may change after various aging times. The translucency of some zirconia showed a decreasing trend and the color difference showed an increasing trend with the aging time.

Systematic investigation on the rational design and optimization of bi-based metal oxide semiconductors in photocatalytic applications.

To address the global energy shortage and mitigate greenhouse gas emissions on a massive scale, it is critical to explore novel and efficient photocatalysts for the utilization of renewable resources. Bi-based metal oxide (BixMOy) semiconductors composed of bismuth, transition metal, and oxygen atoms have demonstrated improved photocatalytic activity and product selectivity. The vast number of element combinations available for BixMOymaterials provides a huge compositional space for the rational design and isolation of promising photocatalysts for specific applications. In this study, we have systematically investigated the electronic and optical properties over Bi2O3and a series of selected BixMOygroup materials (BiVO4, BiFeO3, BiCoO3, and BiCrO3) by calculating band structure, basic optical property features, mobility and separation of charge carriers. It is clearly noted that the band gap and band edge position of the BixMOygroup materials can be tuned in a wide range in comparison to Bi2O3. Similarly, the light response of BixMOyalso can be broadened from the ultraviolet to the visible light region by adjusting the selection of transition metals. Additionally, the analysis of the effective mass of charge carriers of these materials further confirms their possibility in photocatalytic reaction applications because of the appropriate separation efficiency and mobility of carriers. A selection of experimental investigations on the crystal structure, composition, and optical properties of Bi2O3, BiVO4, and BiFeO3as well as their catalytic performance in the degradation of methylene blue over was also conducted, which agree well with the theoretical predictions.

Room-Temperature Near-Infrared Lasing from GaAs/AlGaAs Core-Shell Nanowires Based on Random Cavity.

Room-temperature lasing based on low-dimensional GaAs nanowires (NWs) is one of the most critical and challenging issues in realizing near-infrared lasers for nanophotonics. In this article, the random lasing characteristics based on GaAs NW arrays have been discussed theoretically. According to the simulation, GaAs/AlGaAs core-shell NWs with an optimal diameter, density, and Al content in the shell have been grown. Systematic morphological and optical characterizations were carried out. It is found that the GaAs NWs with the additional growth of the AlGaAs shell exhibit improved emission by about 2 orders of magnitude at low temperatures, which can be attributed to the suppression of crystal defects. At room temperature, lasing was observed with a threshold around 70.16 mW/cm2, and the random lasing mechanism was discussed in detail. This work is of great significance for the design of random cavities based on semiconductor NWs, which is important for optoelectronic integration.

Transparent Silica Aerogels: Optical and Chemical Design, Controlled Synthesis, and Emerging Applications.

Transparent silica aerogel, serving as one typical porous and transparent material, possesses various unique features (e. g., large amounts of pores and interfaces, super-lightweight, super thermal insulation, low refractive index similar to gas), and it has attracted great attention in the fields of science, technology, engineering, art, and others. Transparency is one important evaluation index of transparent silica aerogel, and it was influenced by various factors such as raw materials, sol-gel reactions, phase separation, and drying methods. The structure design and fabrication of transparent silica aerogel is one huge and fine engineering. In this review, the optical/chemical guidance and design for the preparation of transparent silica aerogels are discussed, and typical applications, such as Cherenkov detectors, solar energy collection, lighting systems, and transparent fabric, were also discussed. Finally, a future outlook on the opportunities and challenges of transparent silica aerogels was proposed.

Structure-Property Correlations in CZTSe Domains within Semiconductor Nanocrystals as Photovoltaic Absorbers.

Semiconductor nanocrystals (NCs) are promising materials for various applications. Two of four recently identified CuαZnßSnγSeδ (CZTSe) domains demonstrate metallic character, while the other two exhibit semiconductor character. The presence of both metallic and semiconductor domains in one NC can hugely benefit future applications. In contrast to traditional band gap studies in the NC community, this study emphasizes that NC domain interfaces also affect the electronic properties. Specifically, the measured band gap of a tetrapod-shaped CZTSe NC is demonstrated to originate from two specific domains (tetragonal I 4 ¯ $\bar 4$ and monoclinic P1c1 Cu2ZnSnSe4). The heterojunction between these two semiconductor domains exhibits a staggered type-II band alignment, facilitating the separation of photogenerated electron-hole pairs. Interestingly, tetrapod NCs have the potential to be efficient absorber materials with higher capacitance in photovoltaic applications due to the presence of both semiconductor/semiconductor interfaces and metal/semiconductor "Schottky"-junctions. For the two photo-absorbing domains, the calculated absorption spectra yield maximum photon-absorption coefficients of about 105 cm-1 in the visible and UV regions and a theoretical solar power conversion efficiency up to 20.8%. These insights into the structure-property relationships in CZTSe NCs will guide the design of more efficient advanced optical CZTSe materials for various applications.

Theoretical, structural, and electronic analyses of pyridin-based dyes for dye-sensitized solar cells applications.

CONTEXT: The new series of donor-π-acceptor dyes have been designed using pyridine derivatives as a donor group and thienothiophene as a π-spacer group, which were linked via 10 acceptor groups. The highest occupied molecular orbital energies range from - 6.177 to - 5.786 eV, whereas the lowest unoccupied molecular orbital energies range from - 2.181 to - 3.664 eV. A6 dye has smaller energy gap, lower hardness, higher electrophilicity index, and good photovoltaic performance than other sensitizers. The lowest dihedral angle is observed in A1, A2, A6, A7, and A8 which are appropriate for intramolecular charge transfer between the molecules. The A8 has higher light harvesting efficiency, which increases the photovoltaic efficiency of the designed dye. The A6, A7, and A8 dyes spend less time in the excited state, which means they emit photons more efficiently than other dyes. The interaction between donor to π-spacer (red line) parts of the dyes has the bonding interaction (positive), and π-spacer to acceptor (blue line) parts of the dyes have the bonding and antibonding (negative) behaviours. The dyes A5 and A9 have 305.79 and 357.71 times higher ß0 values than urea (0.781 × 10-30 esu) molecules. The spectral properties of the A6 dye strongly affect the structural modification. METHODS: The density functional theory (DFT) and time-dependent DFT (TD-DFT) approach B3LYP/6-311G (d,p) basic set were used to optimize the designed dyes. All the calculations are performed using Gauss view 6.0 and Gaussian 09 software. The density of state spectrum is plotted using Gauss sum 2.6.

Submerged nanoporous anodized alumina structure for solar-powered desalination.

Development of nanoporous structures utilizing a single step of anodization technique is well recognized as a cost-effective and straightforward approach for several applications. In the current work, anodized alumina was developed with nanoporous structure by utilizing oxalic acid as an electrolyte with a continuous voltage of 40 V. The formed nanoporous structure was subjected to desalination application because of its high absorbance of broadband solar spectrum energy. The desalination setup consists of two solar stills namely conventional and modified. The developed structure is placed in the modified still to examine its performance. It was observed that the structure distributing heat to surrounding water by absorbing photon energy from the sun through the nanopores and giving an efficient pathway to the water vapours for developing effective desalination. The nanoporous structure having ~ 45 nm average diameter. Furthermore, the band gap energy of nanoporous structure was found to be ~ 2.5 eV (absorption spectrum fitting) and ~ 2.8 eV (Tauc plot). The nanoporous structure possess the visible light spectra in solar region which helps the band gaps of nanoporous structure to provide an additional supply of energy for generating more water to evaporate. Moreover, the Urbach energy of the structure is 0.5 eV which reveals less defects in the modified still. The overall distillate yield of modified still was increased to 21% in contrast to conventional. Water quality analysis was also carried out before and after the desalination experiments, and the results were within acceptable limits set by World Health Organization (WHO).

Processing natural bamboo into white bamboo through photocatalyzed lignin oxidation.

Scalable and highly efficient bamboo whitening remains a great challenge. Herein, an effective bamboo whitening strategy is proposed based on photocatalyzed oxidation, which involves H2O2 infiltration and UV illumination. The as-prepared white bamboo well maintains the nature structure of natural bamboo and demonstrates high whiteness and superior mechanical properties. The absorbance value is significantly decreased to 3.5 and the transmittance is increased to 0.04 % in UV-visible wavelength range due to the removal of light-absorbing chromospheres of lignin, resulting in a high whiteness when the UV illumination time is 8 h. In addition, the white bamboo displays a high tensile strength of 30 MPa and a high flexural strength of 36 MPa due to the well-preserved lignin units (lignin preservation is about 89 %). XRD patterns and analysis show that photocatalyzed oxidation has no effect on the crystal parameters of cellulose. Compared with the traditional bamboo whitening technology, our photocatalyzed oxidation strategy demonstrates significant advantage including chemical and time conservation, high efficiency, environment friendliness, and mechanical robustness. This highly efficient and environmentally friendly photocatalyzed oxidation strategy for the fabrication of white bamboo may pave the way of bamboo-based energy-efficient structural materials for engineering application.

Quantitative skin surface hydration measurement by visible optical image processing: A pilot study.

BACKGROUND: Skin barrier function is significantly impacted by skin moisture. Most non-invasive evaluation techniques to measure skin surface hydration relying on its electrical properties, which are limited in scope and have unstable operations. Applying image processing for skin hydration assessment is uncommon, with an emphasis on skin-capacitive pictures and near-infrared images in general, which demand a certain spectrum. As a result, there is an increasing need for wide-area skin hydration evaluation and mapping. OBJECTIVE: The study aims to propose a quantitative evaluation algorithm for skin surface hydration from visible-light images. MATERIALS AND METHODS: Three devices were applied to measure skin hydration: skin image capture device and two recognized commercial skin devices. A digital image processing system creates a new index, called GVR, to symbolize skin surface moisture. The CLAHE algorithm was applied to enhance the contrast of skin image, and after calculating it with the monochrome image, the skin reflectance image was segmented. The GVR was estimated using the values of the individual sites and the entire skin. The correlation coefficient between the three methods was examined using statistical analysis to assess the performance of GVR. RESULTS: Skin hydration estimated from visible-light images is influenced by the entire facial structure in addition to specific areas. The electrical and visible image evaluations showed a strong association with a significant difference. CONCLUSION: It was discovered that reflecting measures from visible images provide a quick and efficient way to quantify the moisture of the skin's surface.

Comparison of characterization and composition of melanoidins from three different dried apple slices.

The composition of melanoidins in dried apple that affects quality remains unclear. The composition and structure of melanoidins in dried apple slices by hot air drying (HAAM), instant controlled pressure drop drying (DICAM), and vacuum freeze-drying (FDAM) were investigated. It showed that the melanoidins were highly heterogeneous mixtures with a light-yellow color and blue-green fluorescence, belonging to polysaccharide-type melanoidins. Specifically, HAAM had a large molecular weight (929.5 g/mol) and wide molecular weight distribution, with more double-bond conjugated systems. DICAM (610.9 g/mol), possessing the strongest fluorescence intensity, was mainly composed of compounds with fewer π-conjugated structures and more electron-donating groups. As a control, the low level of Maillard reaction in FDAM resulted in the formation of the smallest molecular weight (458.6 g/mol) with weak fluorescence intensity. Moreover, 10 compounds were tentatively identified in apple melanoidins. This study provides the foundation for the future functional preparation of apple melanoidins.

Anisotropic optical property of ferroelectric Bi2O2X(X = S,Se,Te) monolayer and strain engineering.

Based on the first-principles calculations, ferroelectricBi2O2X(X=S,Se,Te)monolayers with unequivalent in-plane lattice constants are confirmed to be the ground state, which is consistent with the experiment result (Ghoshet al2019Nano Lett.195703-09), and the anisotropic optical property is firstly investigated. We find that the polarizations ofBi2O2Xmonolayers points along the direction ofa-axis, andBi2O2Temonolayer process the largest polarization. Furthermore, both the biaxial and uniaxial strains are favor for the enhancement of polarization ofBi2O2Xmonolayers. It should be mentioned that the type of band gap will convert from indirect to direct forBi2O2Temonolayer when thea-axial tensile strain is larger than 2%. At last, the optical absorption coefficient forBi2O2Xmonolayers are calculated, and we obtain thatBi2O2Temonolayer has the strongest optical absorption within the range of visible light, the anisotropy and possible strain engineering to improve the optical absorption are discussed in detail. Our findings are significant in fields of optoelectronics and photovoltaics.

Functions of tensile and compressive strain on electronic and optical properties of B-doped monolayer arsenene.

CONTEXT: The structurals stability, electronic structure, density of states (DOS), and optical properties of B-doped arsenene under biaxial tensile and compressive strains were investigated using density functional theory (DFT) calculations. The doping system was found to exhibit good stability. The introduction of B atom transformed the originally indirect band gap of arsenene into a direct band gap. Under compressive strain, the band gap remained direct, gradually decreasing in value. In contrast, under tensile strain, the direct band gap occurred a transition into an indirect band gap, of which value initially increasing and then decreasing with an increasing strain. The static dielectric constant was increased under both compressive and tensile strains, but compressive strain had a stronger effect. Compressive strain led to an increase in the imaginary peak of the dielectric function, while tensile strain resulted in a decrease. Moreover, as compressive strain increased, the absorption and loss function peak initially blue-shifted and then red-shifted, while tensile strain caused a gradual red-shift of the absorption peak. METHOD: All DFT calculations were performed using Quantum Espresso software; the structures were optimized using generalized gradient approximation (GGA-PBE), and electronic structure and optical properties are performed using Heyd-Sceria-Ernzerhof (HSE06). The cut-off energy was set as 70 Ry, the Monkhorst-Pack grid was set to 10 × 10 × 1, the atomic convergence criterion was set as 1.0 × 10-6 Ry, and the convergence criterion of interatomic force was set as 1.0 × 10-4 Ry/Bohr.

Effects of sintering additives and sintering methods on the mechanical, antimicrobial and optical properties of Si3N4 bioceramics.

Si3N4 bioceramics were fabricated using GPS and SPS method with MgO-RE2O3 (RE = La, Nd, Gd, Ho and Lu) sintering additives. The effect of sintering methods and sintering additives on the grain growth, mechanical, antimicrobial properties and color of Si3N4 bioceramics were studied. Samples sintered with GPS are composed of ß-Si3N4 and samples sintered with SPS are composed of α-Si3N4 and ß-Si3N4. The growth of ß-Si3N4 grains in samples sintered with GPS are more adequate. Samples sintered with GPS exhibit a S. aureus inactivation rate up to 98% and a bright color appearance with a hardness of about 13 GPa and a fracture toughness up to 7.5 MPa m1/2, suitable for dental implants. And samples sintered with SPS exhibit a hardness of about 17 GPa and a fracture toughness about 6 MPa m1/2.

Effect of spirocyclization of xanthene dyes on linear and nonlinear optical properties by considering D-π-A and D-A-D Systems: DFT and TD-DFT approach.

Spirocyclization, a unique feature of xanthene dyes, makes it a promising candidate for developing fluorescent ratiometric probes for sensing, imaging, tracking, and labeling. How will this feature of xanthene dyes influence the linear and nonlinear optical properties? To examine the effect of spirocyclization of xanthene dyes, we have selected both the open-close form of rhodamine B and π-extended xanthene dyes substituted with thienyl and thieno[3,2-b]thienyl group at position 3 and 6. Here, rhodamine B will serve as the (Donor)D-π-A(Acceptor) system and thiophene-substituted xanthene dyes will serve as the D-A-D system. The geometry optimization of the close-open form of xanthene dyes at B3LYP/6-311++G(d,p) and CAM-B3LYP/6-311++G(d,p) revealed that the open form is energetically more stable in the S0 state than the closed form. The vertical excitation energy (ΔE), from Time-Dependent-Density Functional Theory (TD-DFT) calculation at B3LYP/6-311++G(d,p), CAM-B3LYP/6-311++G(d,p), ωB97XD/6-311++G(d,p) revealed that (ΔE)open < (ΔE)close. Further, the open form of xanthene dyes displays red-shifted absorption compared to the closed form. The λVt of xanthene dyes (open-close forms) is mainly assigned to HOMO â†’ LUMO transition (S0 â†’ S1) with % orbital contribution for open form âˆ¼ 90 % and close form âˆ¼ 60 %. The oscillator strength of xanthene dyes is obtained in the range of 0.01 - 1.74. The λVt of xanthene dyes is in agreement with experimental absorption. The static polarizability (α0), first-order hyperpolarizability (ß0), second-order hyperpolarizability (γ), molecular hyperpolarizability (µß0), and frequency-dependent hyperpolarizability (ß1064), of the open form of xanthene dyes, were found to be higher than the close form. Thus, the open form of xanthene dyes will show superior linear and nonlinear optical properties than the closed form. The thienyl[3, 2-b] thieno substituted xanthene dye with red-shifted absorption shows higher α0, ß0, γ, µß0, ß1064, and γ values, show better linear and NLO properties than thienyl and diethylamine substituted xanthene dyes.

Electronic structure and optical properties of In- and Vacancy-doped 6H-SiC: a first-principles study.

PURPOSES: The paper aims to investigative the cacuses and impacts of In- and Vacancy-doped to 6H-SiC, expecting that improving optical properties of materials. Design-Using the first-principles calculations, we discuss the electronic structure and optical properties of different doped 6H-SiC systems. FINDINGS: The results show that In-doped 6H-SiC becomes a direct bandgap p-type semiconductor and the energy bandgap is reduced from the intrinsic 2.059 to 1.515 eV. We demonstrate the stability of the systems through the formation energy analysis, meanwhile identify their physical origins and discuss applications of all structures in electronic devices within optical analysis. Find the energy beginning values of the VSi-doped and VC-doped systems' optical absorption spectrums and extend to 0.4 2 eV and 0.11 eV respectively compared with the original 3.23 eV. In the visible light region, the reflectivity images of the VC/VSi and (In, VSi)-codoped systems rise obviously. CONCLUSIONS: The optical properties of all doping systems were analyzed to be improved compared with the intrinsic, all above mentioned provide a theoretical basis for the fabrication of spintronic and optical devices.

Photo-production of excited triplet-state of dissolved organic matters in inland freshwater and coastal seawater.

The excited triplet-state of dissolved organic matter (3DOM*) is a major reactive intermediate in sunlit waters. Its quantum yield is important in understanding the fate of organic micropollutants. The degradation efficiency of its chemical probe, 2,4,6-trimeythlphenol (fTMP), is generally used as a proxy of the quantum yield. However, fTMP has been described and modelled only for freshwater systems. Therefore, this study quantified fTMP in inland freshwater and coastal seawater sampled in Japan by conducting steady-state photochemical experiments. Optical properties of water were then used to model fTMP. Results indicated that the inland freshwater DOM originated mainly from terrestrial sources, while the coastal seawater DOM were microbial-dominated. On average, inland freshwater exhibited lower fTMP (61.2 M-1) than coastal seawater (79.7 M-1) and the coastal seawater exhibited significant variations in the proportion of high-energy 3DOM* (> 250 kJ/mol). In addition, E2:E3 (ratio of absorbance at 254 to 365 nm) was positively correlated with fTMP of inland freshwater, coastal seawater, and the overall dataset. Catchment conditions such as forest coverage also influenced the production of 3DOM* and high-energy 3DOM* in inland freshwater. Furthermore, the developed models estimated fTMP based on the optical properties of both freshwater and seawater, providing valuable insights about 3DOM* photochemistry in the aquatic environment.