First Principles Study on Electronic Structure and Optical Properties of PMMA Doped InSb–Mn Alloy Polymer Matrix Composite

InSb the group III-V semiconductor with narrow band gap is combined with Mn in various concentrations and that InSb–Mn alloy is doped with poly methyl methacrylate (PMMA). The optical properties and electronic structure of ternary InSb–Mn alloy with PMMA are investigated by first principles calculations using the DFT method. Varying Mn concentrations play an important role in the improvement of the absorption coefficient and optical conductivity. It is observed that the band gap of InSb–Mn: PMMA decreases monotonously with the increase in Mn concentration. Optical properties of InSb–Mn: PMMA, such as the optical absorption coefficient and optical conductivity, are greater than those of pure InSb. InSb–Mn: PMMA alloy is doped with PMMA polymer in order to make a thin film as PMMA is a transparent thermoplastic polymer. These results suggest a promising application of InSb–Mn: PMMA thin film in optoelectronics when the InSb doping is 24% with improved conductivity when compared with other doping ratios. This states the optimum doping ratio and the major finding in the carried out research based on modelling and simulation.

Orange dye Removal Efficiency by Few-layer Graphene: an Investigation by UV-Vis Spectroscopy-=SUP=-*-=/SUP=-

Nowadays, few-layer graphene (FLG) has been introduced as a new type of adsorbent. In this research, the orange dyes including, methyl orange (MO) as an industrial dye and the soft drink orange dye (orange Fanta soda) as a food dye, have been removed by FLG adsorbent. In all steps, UV-Vis spectroscopy as a valuable and fast method has been applied. The optical absorption coefficient has been decreased from 0.9 to less than 0.2 by FLG adsorbent for 50 ppm MO dye solution. Therefore, the MO solution with 50 ppm concentration converts to about 10 ppm output solution using 0.05 g of FLG adsorbent in a few minutes. It is about 80% adsorption dye removal efficiency. Also, MO dye removals have been performed in the range of 10 ppm to 500 ppm concentrations, but as the concentration of the solution increases, the dye adsorption ability of FLG decreases. The maximum efficient and optimum MO dye concentrations are about 100 ppm and 50 ppm, respectively, due to 0.05 g FLG adsorbent. It has been completely saturated at about 500 ppm concentration MO dye solution. Also, it has been observed that, for 50 ppm MO dye solution, increasing the amount of mass adsorbent from 0.05 g to 0.25 g can cause the output MO concentration to decrease from 10 ppm to 3 ppm. It has been revealed that about 94% of MO dye can remove by 0.25 g FLG adsorbent. The contact time due to 94% MO removal process is less than 5 minutes. Therefore, only by 0.25 g of FLG adsorbent we can purify wastewater containing 50 ppm MO dye to less than 3 ppm dye concentration, at less than a few minutes. Finally, the FLG glass tube filter can remove more than 90% food orange dye in less than 90 seconds for 50 ml of soft drink solution. Therefore, the FLG tube filtration process is so fast, easy, and high efficient. Keywords: adsorption, Few-Layer Graphene, methyl orange, UV-Vis spectroscopy, orange dye.

Optical Properties of C−rich (12C, SiC and FeC) Dust Layered Structure of Massive Stars

The composition and structure of interstellar dust are important and complex for the study of the evolution of stars and the interstellar medium (ISM). However, there is a lack of corresponding experimental data and model theories. By theoretical calculations based on ab-initio method, we have predicted and geometry optimized the structures of Carbon-rich (C-rich) dusts, carbon (12C), iron carbide (FeC), silicon carbide (SiC), even silicon (28Si), iron (56Fe), and investigated the optical absorption coefficients and emission coefficients of these materials in 0D (zero−dimensional), 1D, and 2D nanostructures. Comparing the nebular spectra of the supernovae (SN) with the coefficient of dust, we find that the optical absorption coefficient of the 2D 12C, 28Si, 56Fe, SiC and FeC structure corresponds to the absorption peak displayed in the infrared band (5−8) µm of the spectrum at 7554 days after the SN1987A explosion. And it also corresponds to the spectrum of 535 days after the explosion of SN2018bsz, when the wavelength in the range of (0.2−0.8) and (3−10) µm. Nevertheless, 2D SiC and FeC corresponds to the spectrum of 844 days after the explosion of SN2010jl, when the wavelength is within (0.08−10) µm. Therefore, FeC and SiC may be the second type of dust in SN1987A corresponding to infrared band (5−8) µm of dust and may be in the ejecta of SN2010jl and SN2018bsz. The nano−scale C−rich dust size is ∼ 0.1 nm in SN2018bsz, which is 3 orders of magnitude lower than the value of 0.1 µm. In addition, due to the ionization reaction in the supernova remnant (SNR), we also calculated the Infrared Radiation (IR) spectrum of dust cations. We find that the cation of the 2D layered (SiC)2+ has a higher IR spectrum than those of the cation (SiC)1+ and neutral (SiC)0+.

Interrelation between Spectral Online Monitoring and Postoperative T1-Weighted MRI in Interstitial Photodynamic Therapy of Malignant Gliomas

In a former study, interstitial photodynamic therapy (iPDT) was performed on patients suffering from newly diagnosed glioblastoma (n = 11; 8/3 male/female; median age: 68, range: 40–76). The procedure includes the application of 5-ALA to selectively metabolize protoporphyrin IX (PpIX) in tumor cells and illumination utilizing interstitially positioned optical cylindrical diffuser fibers (CDF) (2–10 CDFs, 2–3 cm diffusor length, 200 mW/cm, 635 nm, 60 min irradiation). Intraoperative spectral online monitoring (SOM) was employed to monitor treatment light transmission and PpIX fluorescence during iPDT. MRI was used for treatment planning and outcome assessment. Case-dependent observations included intraoperative reduction of treatment light transmission and local intrinsic T1 hyperintensity in non-contrast-enhanced T1-weighted MRI acquired within one day after iPDT. Intrinsic T1 hyperintensity was observed and found to be associated with the treatment volume, which indicates the presence of methemoglobin, possibly induced by iPDT. Based on SOM data, the optical absorption coefficient and its change during iPDT were estimated for the target tissue volumes interjacent between evaluable CDF-pairs at the treatment wavelength of 635 nm. By spatial comparison and statistical analysis, it was found that observed increases of the absorption coefficient during iPDT were larger in or near regions of intrinsic T1 hyperintensity (p = 0.003). In cases where PpIX-fluorescence was undetectable before iPDT, the increase in optical absorption and intrinsic T1 hyperintensity tended to be less. The observations are consistent with in vitro experiments and indicate PDT-induced deoxygenation of hemoglobin and methemoglobin formation. Further investigations are needed to provide more data on the time course of the observed changes, thus paving the way for optimized iPDT irradiation protocols.

Optical and Recombination Parameters of CdS1−xTex Thin Films Obtained by the CMBD Method

This paper presents the results of the photoacoustic, SEM, and surface photovoltage experiments performed on the series of CdS1−xTex thin films. These CdS1−xTex (0 ≤ x ≤ 1) thin films were obtained on the glass substrate by the chemical molecular beam deposition (CMBD) method. The polycrystalline character of these films was revealed by SEM pictures. From the experimental optical characteristics, the optical absorption coefficient spectra of the samples and values of their energy gaps vs. their composition were determined. From the surface photovoltage characteristics, the diffusion lengths of the carriers were also determined.

Effect of Photoconductivity Precursor Volume on Structural, Physical, Electrical and Optical Properties of Thin Layers of Cadmium Oxide (CdO) Nanostructures Produced Using Spray Pyrolysis Technique

Thin layers of Cadmium Oxide (CdO) are produced over glassy substrate by spray pyrolysis technique with precursor volumes of 50, 75 and 100 (ml). FESEM images of samples show the formation of nanometric structures and structural characterization of them resulted from XRD spectroscopy indicate the formation of cubic polycrystalline structure in growing layers with preferred direction of (111). Evaluating the optical properties of samples show that optical band gap of layers is reduced from 3.6 to 3.4 (eV) by increasing the precursor volume and the optical absorption coefficient of samples is in UV region at about 105 (cm-1). Data analysis indicates that the produced sample in volume of 100 mL has the smallest penetration depth (smaller than 200 nm) in UV region. On the other hand, thin layers of Cadmium Oxide (CdO) with various volumes of Cadmium acetate solution (40, 50 and 70 ml) were deposited using spray pyrolysis technique over a glassy substrate. Samples were investigated using FESEM images, XRD and UV-Vis spectra as well as I-V characteristic. It was found that all samples were grew up with polycrystalline nanostructures along the preferred direction of (002). In addition, it was found that grew up sample in the volume of 50 (ml) are of optimum photoconductivity condition in visible range regarding optimum structural (largest crystallite size and lowest crystallite defect density) and optical (smallest band gap and highest light absorption) conditions.

Characterizations of Spray Deposited CdTe Thin Film

The spray pyrolysis is promising technique for deposition of CdTe thin film. We deposited CdTe thin film on glass substrate by homemade spray pyrolysis technique at substrate temperature 3000C. The CdTe thin film was characterized through Field scanning electron microscopy (FSEM), Energy dispersive X-ray analysis (EDAX), Uv-Visible spectroscopy. The SEM micrograph shows the film was uniform coverage, large number of densely packed grain whosesizes ranging from 474nm to 1.64µm. From EDAX analysis conform that the presenceof Cd and Te in prepared film with elemental stoichiometry of Cd and Se was 50.28% and 49.72% respectively. The optical absorption coefficient of the film of order of 106 and band gap of the film 1.45eV.

Impurity photoionization cross-section and intersubband optical absorption coefficient in multilayer spherical quantum dots

Energy spectrum, wave functions and binding energies of the electron to the donor impurity ion located in the center of a multilayer spherical quantum dot (MSQD) consisting of a core and two spherical shells were studied within the effective mass approximation. Based on the exact wave functions of the electron expressed in terms of Coulomb functions of the first and second kind, the spectral dependences of the photoionization cross section of the impurity (PCS) and the intersubband optical absorption coefficient (OAC) for various geometric dimensions of the nanostructure were calculated. It is shown that the decrease in the width of the external potential well changes the localization of the electron in the nanosystem which significantly affects the binding energy of the electron with the impurity, photoionization cross section and interband absorption coefficient. The position of the PCS peak associated with the quantum transition of an electron from the ground state to the 1p0 state shifts to the region of higher energies, and its height decreases. At the same time, the height of PCS peaks associated with quantum transitions to higher excited states (2p0, 3p0) increases.The presence of impurities and changes in the MSQD size significantly affect the intersubband absorption coefficient. Decrease of the external potential well width in the absence of impurities leads to a monotonous increase in OAC through the first excited state, and in the presence of a central impurity, absorption through states with higher energy increases.

Phase evolution of all-inorganic perovskite nanowires during its growth from quantum dots

All-inorganic lead-halide perovskites have emerged as an exciting material owing to their excellent optoelectronic properties and high stability over hybrid organometallic perovskites. Nanowires of these materials, in particular, have shown great promise for optoelectronic applications due to their high optical absorption coefficient and low defect state density. However, the synthesis of the most promising alpha-Cesium lead iodide (α-CsPbI3) nanowires is challenging as it is metastable and spontaneously converts to a non-perovskite δ-phase. The hot-injection method is one of the most facile, well-controlled, and commonly used approaches for synthesizing CsPbX3 nanostructures. But the exact mechanism of growing these nanowires in this technique is not clear. Here, we show that the hot-injection method produces photoactive phases of quantum dots (QDs) and nanowires of CsPbBr3, and QDs of CsPbI3, but CsPbI3 nanowires are grown in their non-perovskite δ-phase. Monitoring the nanowire growth during the hot-injection technique and through detailed characterization, we establish that CsPbI3 nanowires are formed in the non-perovskite phase from the beginning rather than transforming after its growth from perovskite to a non-perovskite phase. We have discussed a possible mechanism of how non-perovskite nanowires of CsPbI3 grow at the expense of photoactive perovskite QDs. Our findings will help to synthesize nanostructures of all-inorganic perovskites with desired phases, which is essential for successful technological applications.

Photoelectric properties and stability of the single-layer transition metal dichalcogenides under three stress states

In this paper, the electrical and optical properties of single-layer MoS2 and single-layer WS2 in three strain states: biaxial tension, biaxial compression, biaxial tension and compression are systematically studied. All calculations are based on the first-principle of density functional theory. The results show that after biaxial tension strain, biaxial compression strain, and biaxial tension-compression strain are applied, the atomic structure, energy band structure, and optical absorption coefficient will show disparate changing trends. When the biaxial tension and compression strain intensity is less than 15%, the bond length, bond angle, and light absorption peak will have little fluctuation with the increase of strain intensity. However, compared with the other two strain states, these two crystal structures are the most volatile at this time. In addition, when 15% biaxial tensile strain is applied, the two crystals can still maintain their kinetic stability.