Spectral red shift in the Ag2+ doped CdS quantum dots

Photoluminescence spectrum of pure and Silver (Ag²⁺) doped cadmium sulfide (CdS) quantum dots with different doping concentrations and pure Cd concentrations were carried out. A systematic red shift in the band gap energy, ranging from 2.48 eV to 2 eV was noticed with the increasing Ag²⁺ concentration, however, no shift in the band gap energy was observed for varying pure Cd concentration. The red shift of the band gap energy was consistent in both photoluminescence and absorption spectra and the observed energy shifts are equal to the fundamental and overtone energies of the longitudinal optical phonon of Cd²⁺S.     

Effects of copper nanoparticles on the thermodynamic,electrical and optical properties of a disc-shaped liquid crystalline material showing columnar phase

Thermodynamic, electrical and optical studies have been carried out on a discotic liquid crystal (DLC), namely 2, 3, 6, 7, 10, 11-hexabutyloxytriphenylene (possessing columnar phase) and its copper nanoparticles (0.6 wt%) based composite. The ionic conductivity of DLC–copper nanocomposite has increased by about two orders of magnitude as compared to the pure system. Dielectric permittivity has also increased. The absorption spectra for pure and nanocomposites have been studied by UV–Vis spectrophotometer. The optical study suggests that surface plasmon resonance has been introduced in DLC due to the incorporation of copper nanoparticles. It has been observed that the presence of nanoparticles has decreased the optical band gap to 3.3 eV from 4.2 eV of the pure DLC. Enhanced properties are useful for one-dimensional conduction and photovoltaic applications.     

Electrical and optical properties of pure and Pb2+ ion doped PVA???PEG polymer composite electrolyte films

Pb²⁺ ion conducting polymer composite electrolyte films, based on polyvinyl alcohol and polyethylene glycol doped with Pb(NO₃)₂ salt, were prepared using the solution cast technique. X-ray diffraction patterns of polymer composite with salt reveal the decrease in the degree of crystallinity with increasing concentration of the salt. The dielectric plots show an increase in dielectric permittivity at low frequency side with increasing salt concentration as well as temperature. The frequency dependence of ac conductivity obeys the Jonscher power law, and the maximum dc conductivity value is found to be 2.264×10^?7 S/m at 303?K for the polymer composite with 30?mol% Pb(NO₃)₂. The activation energy for the ion in polymer electrolyte has been calculated from the modulus plots, and is in good agreement with the activation energy calculated from the temperature-dependent dc conductivity plot. The modulus plots indicate the non-Debye nature of the sample. For pure and doped films at room temperature, the impedance plots exhibit only one semicircle, indicating the presence of one type of conduction mechanism, whereas for 30?mol% salt doped with electrolyte film at different temperatures, it demonstrated the existence of bulk and electrode?Celectrolyte interface properties. Optical absorption spectra show a broad peak for all complexes, while compared with pure polymer composite, due to the complex formation of polymer electrolyte with Pb(NO₃)₂ and their absorption edge, direct band gap and indirect band gap were calculated. It was found that the absorption edge and energy gap values decreased on doping with Pb(NO₃)₂ dopant.     

Ce-Co-doped BiFeO_3 multiferroic for optoelectronic and photovoltaic applications

The Ce-Co-doped BiFeO_3 multiferroic, Bi_(1-x)Ce)xFe_(1-x)Co_xO_3(x = 0.00, 0.01, 0.03, and 0.05), has been prepared by a sol-gel auto-combustion method and analyzed through Raman spectroscopy, photoluminescence, and UV-visible spectroscopy. We have observed an anomalous intensity of the second-order Raman mode at ~ 1260 cm~(-1) in pure BFO and suppressed intensity in doped samples, which indicates the presence of spin two-phonon coupling in these samples.The photoluminescence spectra show reduction in the intensity of emission with the increasing dopant concentration, which indicates the high charge separation efficiency. A sharp absorption with three charge transfer(C-T) and two d-d transitions are shown by UV-visible spectra in the visible region. The band gap of BiFeO_3(BFO) is decreasing with increasing dopant concentrations and the materials are suitable for photovoltaic applications.     

Er3+掺杂Ge-Ga-S-KBr硫卤玻璃的中红外发光和多声子弛豫的研究

用熔融急冷法制备了系列不同Er3+离子掺杂浓度的Ge-Ga-S-KBr硫卤玻璃,测试了样品折射率、吸收光谱、中红外荧光光谱。通过吸收光谱计算了Er3+离子吸收谱线的振子强度,应用Judd-Ofelt理论计算分析了Er3+离子在Ge-Ga-S-KBr硫卤玻璃中的强度参数Ωi ( i = 2 , 4 , 6) 、自发辐射跃迁几率A、荧光分支比?和辐射寿命?rad等光谱参数。研究了808nm激光泵浦下样品中红外荧光特性与掺杂浓度之间变化关系,并用Futchbauer-Ladenburg公式分别计算了2.8?m处的受激发射截面。结果表明,在808nm 激光泵浦下观察到了2.8?m中红外荧光,分别对应于Er3+： 4I11/2?4I13/2跃迁,当Er3+离子掺杂浓度从0.4wt%增加到1.0wt%时,中红外荧光强度都随相应增加,计算的Er3+:4I11/2?4I13/2跃迁多声子驰豫速率分别为37 s-1。     

Emission characteristics of Dy3+ ions in lead antimony borate glasses

Glasses with the composition 30PbO–25Sb₂O₃–(45?x)B₂O₃–xDy₂O₃ for x=0 to 1 were prepared in steps of 0.2 by the melt-quenching method. Various physical parameters, viz., density, molar volume, and oxygen packing density, were evaluated. Optical absorption and luminescence spectra of all the glasses were recorded at room temperature. From the observed absorption edges optical band gap, the Urbach energies are calculated; the optical band gap is found to decrease with the concentration of Dy₂O₃. The Judd–Ofelt theory was applied to characterize the absorption and luminescence spectra of Dy³⁺ ions in these glasses. Following the luminescence spectra, various radiative properties, like transition probability A, branching ratio β and the radiative life time τ for different emission levels of Dy³⁺ ions, have been evaluated. The radiative lifetime for the ⁴F_9/2 multiplet has also been evaluated from the recorded life time decay curves, and the quantum efficiencies were estimated for all the glasses. The quantum efficiency is found to increase with the concentration of Dy₂O₃.     

Electrical and optical characterization of (PEO+PVAc) polyblend films

Solid polymer blend films based on polyethylene oxide and polyvinyl acetate (PVAc) were prepared in various concentrations by solution cast technique. The features of complexation of the blend films were studied by X-ray diffraction. The electrical conductivity of films was found to increase with increasing PVAc concentration. The conductivity–temperature plots were found to follow Arrhenius nature and showed a decrease in activation energy with increasing PVAc concentration. Optical properties like absorption edge and direct and indirect band gaps were estimated for pure and blend films from their optical absorption spectra. It was found that the energy gap and band edge values shifted to lower energies on blending with PVAc.     

Optical and Conductivity Studies of Cr3+ Doped Polyvinyl Pyrrolidone Polymer Electrolytes

Abstract

Polymer electrolyte films of polyvinyl pyrrolidone (PVP) embedded with various concentrations of Cr³⁺ ions were prepared by a solution casting technique. The complexation between the Cr³⁺ ions and the polymer was confirmed by Fourier transform infrared (FTIR) spectroscopy and UV–vis spectroscopy. The electrical conductivity of the films was measured using an impedence analyzer in the frequency range of 42?Hz to 5?MHz at ambient temperature. It was observed that the conductivity increased with the increase in the Cr³⁺ ion concentration. UV–visible absorption spectra in the wavelength range of 200–800?nm were used to determine the direct and indirect optical energy band gaps and optical absorption edge. Both of the optical band gaps decreased with the increase in Cr³⁺ ion concentration. FTIR studies on pure and Cr³⁺ doped PVP polymer films revealed the vibrational changes that occurred due to the effect of the dopant Cr³⁺ ions in the polymer. Our results suggested that Cr³⁺, as a dopant, is a good choice to improve the electrical properties of PVP polymer electrolytes.     

Optical band gap studies and estimation of two photon absorption coefficient in alkali bismuth borate glasses

The optical absorption spectra of the glasses with composition xBi₂O₃·(30???x)R₂O·70B₂O₃ (R?Li, Na, K) and xBi₂O₃·(70???x)B₂O₃·30Li₂O (0?≤?x?≤?20) have been recorded in the wavelength range 350–650?nm. The glass samples were prepared by the normal melt–quench technique. The fundamental absorption edge for all the series of glasses is analyzed using the theory of Davis and Mott. The position of absorption edges and the values of optical band gap are dependent on the mol% of Bi₂O₃. The absorption in these glasses is associated with indirect transitions. The values of Urbach's energy and band tailing parameters are reported. The two photon absorption coefficient, β, in these glasses has also been estimated from the optical band gap and its value ranges from 1.3 to 11.6?cm/GW. The relationship between β and glass composition has also been discussed in terms of the electronic structure of the glass system.     

Some optical properties of (ZnS)−(GaP) alloys and their interpretation

Optical measurements on the single crystals of the pseudobinary (ZnS)?(GaP) alloy were carried out. The band gap energy decreased more rapidly with increase in GaP concentration than that reported previously. The analysis of the absorption spectra for the crystals of up to 70 mole % GaP indicated a direct transition characteristic, and that the band gap becomes nearly equal to that of pure GaP at about 30 mole % GaP. The photoluminescence spectra observed at liquid nitrogen temperature could first be resolved into three kinds of emission band with Gaussian distribution. The peak energy of these bands were found to be independent of the band gap variation. Thus the observed peak energy shift with alloy composition was attributed to the variation of the emission intensity of each band. The band gap shrinkage and the origin of the photoluminescence spectra on the basis of a molecular orbital method were discussed.     

Preparation and investigation of optical, structural, and morphological properties of nanostructured ZnO:Mn thin films

Nanostructured ZnO:Mn thin films have been prepared by sol–gel dip coating method. The content of Mn in the sol was varied from 0 to 12 wt%. The effect of Mn concentration on the optical, structural, and morphological properties of ZnO thin films were studied by using Fourier Transform Infrared (FTIR), UV–visible and photoluminescence (PL) spectroscopy, X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM). XRD results showed that the films have hexagonal wurtzite structure at lower content of Mn. The diffraction peaks corresponding to ZnO disappeared and two diffraction peaks of MnO₂ and Mn₃O₄ appeared at the highest value of doping concentration (viz., 12 wt%). SEM results revealed that the surface smoothness of the films improved at higher content of Mn. The optical band gap of the films decreased from 3.89 to 3.15 eV when the Mn concentration increased from 0 to 12 wt%. The PL spectra of the films showed the characteristic peaks linked to band-to-band, green and yellow emissions. Besides, the PL intensity of the samples decreased with increase in Mn concentration.     

First-principles study of the effect of heavy Ni doping on the electronic structure and absorption spectrum of wurtzite ZnO

The band structures, densities of states and absorption spectra of pure ZnO and two heavily Ni doped supercells of Zn_0.9722Ni_0.0278O and Zn_0.9583Ni_0.0417O have been investigated using the first-principles plane-wave ultrasoft pseudopotential method based on the density functional theory. The calculated results showed that the band gap is narrowed by Ni doping in ZnO; this, is because the conduction band undergoes a greater shift toward the low-energy region than the valence band and because heavier doping concentrations lead to, narrower band gaps. Moreover, the optical absorption edge exhibits a redshift due to the narrowing of the band gap. Heavier doping concentrations leads to more significant redshifts, which is in agreement with the experimental results.     

Concentration quenching of fluorescence of colloid quantum dots of cadmium sulfide

The influence of the concentration of cadmium sulfide nanoparticles in a colloid aqueous solution on its optical properties has been investigated. The band gap of cadmium sulfide nanoparticles is calculated based on the optical absorption spectra of solutions with different concentrations. The band gap coincides for all the samples irrespective of their concentration and is equal to 2.63 eV. It is found that the intensity of fluorescence substantially depends on the solution concentration. The fluorescence intensity considerably decreases in a wavelength range from 665 to 720 nm as the concentration increases above 3.25 mM. This concentration is the threshold of the concentration quenching for CdS nanoparticles.     

Effect of lithium thiocyanate addition on the structural and electrical properties of biodegradable poly(ε-caprolactone) polymer films

Polymer electrolyte films of biodegradable poly(ε-caprolactone) (PCL) doped with LiSCN salt in different weight ratios were prepared using solution cast technique. The effect of crystallinity and interaction between lithium ions and carbonyl groups of PCL on the ionic conduction of PCL:LiSCN polymer electrolytes was characterized by X-ray diffraction (XRD), optical microscopy, Fourier transform infrared spectroscopy (FTIR) and AC impedance analysis. The XRD results revealed that the crystallinity of the PCL polymer matrix decreased with an increase in LiSCN salt concentration. The complexation of the salt with the polymer and the interaction of lithium ions with carbonyl groups of PCL were confirmed by FTIR. The ionic conductivity was found to increase with increasing salt concentration until 15 wt% and then to decrease with further increasing salt concentration. In addition, the ionic conductivity of the polymer electrolyte films followed an Arrhenius relation and the activation energy for conduction decreased with increasing LiSCN concentration up to 15 wt%. UV–vis absorption spectra were used to evaluate the optical energy band gaps of the materials. The optical energy band gap shifted to lower energies with increasing LiSCN salt concentration.     

Physical,optical and electrical properties of calcium bismuth borate glasses

The variation in physical, optical and electrical properties has been investigated as a function of Bi₂O₃ content in 20CaO?·?xBi₂O₃?·?(80???x)B₂O₃ (0?≤?x?≤?60, in mol%) glasses. The samples were prepared by normal melt-quenching process, and the optical absorption and reflection spectra were recorded in the wavelength range of 400–950 nm. The fundamental absorption edge has been identified from the optical absorption spectra. The optical band gap, E _g, for indirect allowed and indirect forbidden transitions has been determined from the available theories and its value lies between 1.80–2.37 eV and 1.08–2.19 eV, respectively. The theoretical fitting of the optical absorption indicates that the present glass system behaves as an indirect gap semiconductor. The origin of the Urbach energy, ΔE, has been associated with the phonon-assisted indirect transitions. The refractive index and optical dielectric constant have been evaluated from the reflection spectra. The density and molar volume are found to depend on the molar concentration of Bi₂O₃. The values of DC electrical conductivity have been measured from 373 to 623 K and the activation energy has been calculated. Theoretical optical basicity has been reported as a function of the Bi₂O₃ content. The variations have been discussed in terms of structural changes.     

SiO2 nanoparticles doped nematic liquid crystal system: An experimental investigation on optical and dielectric properties

The aim of this work is to investigate the effect of silica (SiO₂) nanoparticles (NPs) on optical and dielectric properties of BBEA nematic liquid crystal (NLC). For optical analysis the photoluminescence (PL) and UV-absorbance experiments have been performed. The doped system is showing enhancement in the intensity of photoluminescence with varying concentration of nanoparticles. A red shift is observed in the emission spectra of NLC doped with silica nanoparticles. The PL emission peak of NLC is observed at 377.3 nm which is shifted to 379.7 nm in the presence of silica nanoparticles. We have also observed the enhancement in the value of UV absorption for silica doped systems in comparison to the pure system. Energy band gap of pure and doped systems has been calculated and it is found that the energy band gap is decreasing with concentration which is a promising result of this study. The dielectric parameters of the pure and doped NLC systems were carried out as a function of frequency and temperature. Different dielectric parameters such as relative permittivity, loss factor and dielectric conductivity have been measured. The pure and silica nanoparticles doped systems has shown decreased value of dielectric permittivity and loss factor at lower frequency region and at higher frequency regions these values became constant. The value of relative permittivity also decreases with concentration. The increased value of a.c. conductivity for doped systems can be utilized in device designing. Moreover, the temperature dependence of the birefringence (Δn) was determined from the transmitted intensity of light for pure and doped systems and the improvement in its value for both composites has been observed. Improved value of birefringence has pronounced applications in optical devices.     

Electrical and optical properties of pure and KClO3-doped P(MMA-CO-4VPNO) polymer electrolyte films

Ion-conducting polymer electrolyte films based on a copolymer poly(methyl-methacrylate-co-4-vinyl pyridine N-oxide) [P(MMA-CO-4VPNO)] complexed with potassium chlorate (KClO₃) were prepared by solution cast technique. The complexation of KClO₃ salt with the polymer was confirmed by X-ray diffraction and infrared studies. The electrical conductivity and optical absorption of pure and KClO₃-doped P(MMA-CO-4VPNO) polymer electrolyte films have been studied. The electrical conductivity increased with increasing dopant concentration, which is attributed to the formation of charge transfer complexes. The variation of electrical conductivity with temperature shows two regions with two activation energies. Optical properties like direct band gap, indirect band gap, and optical absorption edge were investigated for pure and doped polymer films in the wavelength range 300–550 nm. It was found that the energy gaps and band edge values shifted to lower energies on doping. The behavior is in an agreement with the activation energies obtained from the conductivity data.     

Optical characterization of tin containing novel chalcogen rich glassy semiconductors

Amorphous thin film materials with different compositions of Se_80?xTe₂₀Sn_x (0 ≤ x ≤ 10) system have been deposited on glass substrates by a well known thermal evaporation technique. Structural characterization of different compositions of aforementioned system has been done by Raman spectroscopy. The optical properties of thin films have been studied in the wavelength range 200–1100 nm by the utilization of the optical absorbance spectra of deposited thin films. To calculate the optical band gap from the optical absorption spectra, we have used Tauc model that follows the mechanism of allowed ‘non-direct electronic transition’. Subsequently, we have determined the energy band gap, metallization criterion and refractive index of thin films of aforesaid system. The variation in optical properties with composition has been interpreted in terms of density of defect states.     

第一性原理研究Ni、V、Zr、N、P、S单掺杂及其共掺杂锐钛矿物相TiO_2的电子结构和吸收光谱

采用基于密度泛函理论(density functional theory,DFT)的Castep(MS 5.5)软件包进行计算,计算方法为广义梯度近似(generalized gradient approximation,GGA)下的Predew-Burke-Ernzerhof交换关联泛函和投影缀加平面波方法,构建2×2×1锐钛矿相二氧化钛单掺杂Ni、V、Zr、W等金属原子及N、P、S等非金属原子的晶胞模型,对掺杂锐钛矿相二氧化钛的能带结构、态密度和吸收光谱进行了计算.计算结果表明:Ni、V、Zr、W、P、N、S单掺杂二氧化钛的带隙宽度,除了W元素,其它掺杂元素都使带隙变窄,吸收光谱发生一定程度的红移.同时计算结果也表明,在金属和非金属共掺杂的作用下,由于共掺杂元素的引入,均使得带隙降低,其中P-V和S-Ni共掺杂的带隙最小,光学性质显示S-Ni共掺杂吸收边带最宽,对可见光的利用率最高,理论上S-Ni共掺杂锐钛矿二氧化钛具有良好的光致阴极保护效果.     

Electrical,optical, and structural characterization of polymer blend (PVC/PMMA) electrolyte films

Ion-conducting solid polymer blend electrolytes based on polyvinyl chloride (PVC)/poly methyl methacrylate (PMMA) complexed with sodium perchlorate (NaClO₄) were prepared in various concentrations by solution cast technique. The features of complexation of the electrolytes were studied by X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy. DC conductivity of the films was measured in the temperature range 303–398 K. Transference number measurements were carried out to investigate the nature of charge transport in the polymer blend electrolyte system. The electrical conductivity increased with increasing dopant concentration, which is attributed to the formation of charge transfer complexes. The polymer complexes exhibited Arrhenius type dependence of conductivity with temperature. In the temperature range studied, two regions with different activation energies were observed. Transference number data showed that the charge transport in this system is predominantly due to ions. Optical properties like absorption edge, direct band gap, and indirect band gap were estimated for pure and doped films from their optical absorption spectra in the wavelength region 200–600 nm. It was found that the energy gap and band edge values shifted to lower energies on doping with NaClO₄ salt. Paper presented at the Third International Conference on Ionic Devices (ICID 2006), Chennai, Tamil Nadu, India, Dec. 7–9, 2006.