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Determination of nanoscale titanium oxide thin film phase composition using X-ray photoelectron spectroscopy valence band analysis
摘要： The phase compositions of nanoscale thick titania films on the titanium were determined using X-ray photoelectron spectroscopy valence band analysis for the first time, by deconvoluting the two-peak structure of valence band into five peaks and analysing the relative peak area. The titania films of thickness varying from about 2 nm to 8 μm were obtained by the air oxidation of commercially pure titanium at different temperatures. The titania films formed on titanium for oxidizing temperatures up to 200 °C were amorphous, with thickness < 10 nm. The sub-stoichiometric oxides present at the TiO2-Ti interface were composed of Ti3+, Ti2+ and Ti1+ states when the film of thickness was < 10 nm. At 300 °C, when the titania film thickness was < 20 nm, it was fully converted to rutile phase and remained stable up to 1000 °C. A broadening of full-width half-maxima of the core level peaks for the titania layers was attributed to the presence of surface hydroxyl group and stress gradient within the oxide layer. The absence of metastable anatase phase in the titania layers at lower temperatures was attributed to the presence of high stresses within the oxide layers owing to their nanoscale thickness.
关键词： X-ray Photoelectron Spectroscopy,Thin film,Valence band,Surface phase composition,Titania,Titanium
更新于2025-11-21 11:24:58
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Analysis of Cu doping concentration on PbS thin films for the fabrication of solar cell using feasible nebulizer spray pyrolysis
摘要： This report portrays the analysis of Cu doping concentration (%) on PbS thin films prepared by feasible nebulizer spray technique. The doping percentage of Cu was increased from 0% to 8% in steps of 2%. X-ray diffraction study of the films evinces the nature of the films as polycrystalline with simple cubic crystal structure. The calculated crystallite size was varied from 55 to 41 nm on increasing the Cu doping concentration. SEM/AFM studies proclaim that the cubic shaped grains have covered the entire film surface. The shape of grains was amended with respect to the increase in Cu doping concentration. An elevation in band gap from 1.61 eV to 2.10 eV was spotted for the raise in Cu doping concentration from 0% to 6%. The near band edge emission peak at 575 nm was sensed from PL spectra in which the intensity was enhanced. Hall Effect measurement declared the p-type conductivity nature for the prepared PbS films. Resistivity and carrier-concentration values are 0.73×103 Ωcm and 6.04×1013 cm-3 respectively for 6% Cu doped PbS thin films. Efficiency for the solar cell FTO/n-CdS/p-Cu:PbS structure constructed with 6% Cu doped PbS film is about 0.68%.
关键词： X-ray diffraction,PL spectra,Hall Effect measurement,AFM/SEM,Cu doped PbS film
更新于2025-11-21 11:18:25
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Development of a high strength Al–Zn–Si–Mg–Cu alloy for selective laser melting
摘要： Despite additive manufacturing processes are already widely used in several industrial applications, there are few materials that are specifically designed and optimized for these technologies. Currently, only few Al alloys are available on the market and employed for 3D printing of structural parts. In particular, SieMg bearing alloys are the most common Al alloys for additive manufacturing, featuring high processability but moderate mechanical properties. By this work, we studied the effect of Si addition on the hot cracking susceptibility of a high strength AleZneMgeCu alloy. A preliminary activity has been carried out by blending AleZneMgeCu and AleSieMg powders and analysing their microstructure and properties achieved after selective laser melting. Eventually a new AleZneSieMgeCu alloy has been designed, produced as powder alloy by gas atomization and tested. The microstructure and phase transformations of the new alloy has been investigated by synchrotron X-ray diffraction, differential scanning calorimetry and microscope analysis. The AleZneSieMgeCu alloy processed by selective laser melting featured a relative density of 99.8%, no hot cracks were noticed within the investigated microstructures. The ability of the new alloy to respond to aging starting from both as built and solution annealed conditions has been also evaluated. A good response to direct aging (directly from as built condition) was demonstrated, featuring yield strength and ultimate tensile strength of 402 and 449 MPa, respectively, and hardness of 174 HV after optimized aging at 165 (cid:1)C for 2 h.
关键词： Differential scanning calorimetry,Metal additive manufacturing,Mechanical properties,Synchrotron X-ray diffraction,High strength Al alloy
更新于2025-11-21 11:18:25
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Mono and co-substitution of Sr2+ and Ca2+ on the structural, electrical and optical properties of barium titanate ceramics
摘要： In this work, Ba0.9Sr0.1TiO3, Ba0.7Sr0.3TiO3, Ba0.5Sr0.5TiO3, Ba0.5Ca0.25Sr0.25TiO3 and Ba0.5Ca0.5TiO3 have been synthesized to evaluate the influence of mono and co-substitution of A-site dopants (Sr2+ and Ca2+) on the structural, electrical and optical properties of BaTiO3 ceramics. Sr2+ added samples showed a tetragonal structure which became slightly distorted with increasing Sr2+ concentration and finally achieved a cubic structure for x = 0.50. Ba0.5Ca0.5TiO3 also retained their tetragonality with limited solubility. Presence of second phase, CaTiO3 demonstrated the fact of restricted solubility. The concurrent effect of Sr2+ and Ca2+ didn't alter the tetragonal structure. Sr2+ substitution enhanced the apparent density as well as grain size which stimulated the domain wall motion and improved dielectric properties. However, the ferroelectric nature of Ba1-xSrxTiO3 was poor due to the redistribution of point defect at grain boundary. The optical band gap was found to be reduced from 3.48 eV to 3.28 eV with increasing Sr2+ content. Co-substitution of cations improved the electrical property significantly. The highest value of dielectric constant was found to be ～547 for Ba0.5Ca0.25Sr0.25TiO3 ceramics. Both Ba0.5Ca0.25Sr0.25TiO3 and Ba0.5Ca0.5TiO3 had developed P-E loop having lower coercive field and moderate optical band gap energy. Co-doping with Sr2+ and Ca2+ was a good approach enhancing materials electrical as well as optical property.
关键词： Dielectric properties,Grain size,X-ray diffraction,Optical properties,Sintering
更新于2025-11-21 11:18:25
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Influence of bath temperatures on physical and electrical properties of potentiostatically deposited Cu2O thin films for heterojunction solar cell applications
摘要： In the present work, the influence of bath temperatures on structural, morphological, vibrational, optical, electrical and photo response properties of the electrochemically deposited cuprous oxide (Cu2O) thin films on fluorine doped tin oxide substrate is extensively investigated with the help of X-ray diffraction (XRD), scanning electron microscopy (SEM), Micro Raman spectroscopy, photo luminescence (PL) spectroscopy, UV–visible spectroscopy, LCR measurement, Keithley 4200 semiconductor characterization system respectively. XRD patterns reveal that the deposited Cu2O films have cubic structure grown along the preferential (111) orientation and the film deposited at 40 °C shows better crystalline nature when compared at 55 and 70 °C. The micro structural properties of films such as crystallite size (D), dislocation density (δ), micro strain (ε) and stacking fault probability (α) were calculated and discussed in detail. SEM displays a well-defined three side pyramid shaped morphology for the film deposited at 40 °C. Micro Raman and PL spectra reveal the film deposited at 40 °C by being better crystalline at a higher acceptor concentration. UV–Visible study shows that the optical energy band gap increases from 2.05 to 2.17 eV with an increase in bath temperature from 40 to 70 °C. The frequency-temperature dependence of impedance analysis shows a higher electrical conductivity for a film deposited at 40 °C compared to other bath temperatures. I-V measurement illustrates a good photoconductivity response for Cu2O thin film deposited at 40 °C compared to films deposited at 55 and 70 °C.
关键词： Micro Raman spectroscopy,X-ray diffraction,Photoconductivity,Cuprous oxide,Pyramid shape
更新于2025-11-19 16:46:39
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Building Intermixed Donor-Acceptor Architectures for Water-Processable Organic Photovoltaics
摘要： A modified synthesis method for aqueous nanoparticle printing inks, based upon vacuum-assisted solvent removal, is reported. Poly(3-hexylthiophene) : phenyl C61 butyric acid methyl ester nanoparticle inks were prepared via this modified miniemulsion method; leading to both an improvement in photoactive layer morphology and a substantial reduction in the ink fabrication time. A combination of UV-visible spectroscopy, photoluminescence spectroscopy and scanning transmission X-ray microscopy measurements revealed a nanoparticle morphology comprised of highly intermixed donor-acceptor domains. Consistent with these measurements, dynamic mechanical thermal analysis of the nanoparticles showed a glass transition temperature (Tg) of 104 °C, rather than a pure polymer phase or pure fullerene phase Tg. Together the spectroscopy, microscopy and thermomechanical data indicate that rapid solvent removal generates a more blended nanoparticle morphology. As such, this study highlights a new experimental lever for optimising nanostructure in the photoactive layer of nanoparticulate organic photovoltaic devices by enabling highly intermixed donor-acceptor architectures to be built from customised nanoparticulate inks.
关键词： organic photovoltaic,scanning transmission X-ray microscopy,morphology,colloidal inks,exciton dissociation,Nanostructure,eco-friendly processing
更新于2025-11-19 16:46:39
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Full color carbon dots through surface engineering for constructing white light-emitting diodes
摘要： White light-emitting diodes (WLEDs) devices are replacing the filament lamp and they can provide a light close to the natural sunlight, which have thus drawn considerable attention in these recent years. It remains a scientific challenge to develop WLEDs using environmentally friendly, easy-to-process and cost-effective phosphors. Here we synthesized blue-, green- and red-carbon dots (denoted as B-, G- and R-CDs) by a facile solvothermal method with high dispersity both in aqueous and organic solvent. The quantum yield (QY) of the R-CDs achieved up to 24.7%. These CDs can be easily dissolved in polyvinylpyrrolidone (PVP) colloid, leading to the production of ultraviolet (UV)-excited LED devices to avoid the retinal damage caused by blue ray excitation. The fluorescence emission of the WLED has a wide band, covering the whole visible light region. Importantly, the influence of doping that gives rise to the change of emissive colors has been elucidated by X-ray photoelectron spectroscopy (XPS) combined with a computation method in order to provide a systematic controllable tuning on the functionalization of CDs. As such, WLEDs were demonstrated with color coordinates of (0.33, 0.33), a color temperature of 5612 K in the CIE chromaticity diagram with good anti-photobleaching and a color rendering index (CRI) of 89.
关键词： polyvinylpyrrolidone,White light-emitting diodes,solvothermal method,UV-excited LED devices,density functional theory,quantum yield,X-ray photoelectron spectroscopy,carbon dots
更新于2025-11-14 15:18:02
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First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide: Synthesis and structure of Ti4Se9I6
摘要： The first titanium selenoiodide Ti4Se9I6 was synthesized as black crystals by heating of Ti, Se, and I2 at 250 °C in 5:9:5 M ratio. The crystal structure of the compound was solved by X-ray single-crystal diffractometry (sp. gr. P-1, a = 7.9652(10), b = 10.3390(15), c = 15.692(2) ?; α = 79.116(7)°, β = 75.861(7)°, γ = 71.437(7)°; Z = 2) with final R1 = 0.0397. The structure includes square {Ti4(μ4-Se)(μ2-Se2)4} fragment coordinated by four terminal and four bridging μ2-I atoms. Ti4+ has d0 configuration, and stability of the structure fragments is provided by metal to ligand bonding which was confirmed by DFT calculations.
关键词： Metal chalcohalides,Titanium,Square complex,Synthesis,Selenide,X-ray crystal structure,Chain structure,DFT calculations,Iodide
更新于2025-11-14 15:14:40
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Structural and optical properties of a revived Pb0.5Ba1.5BiVO <sub/>6</sub> perovskite oxide
摘要： The polycrystalline ceramic Pb0:5Ba1:5BiVO6 manifesting the complex double perovskite structure was tailored by the conventional solid state route at a moderate temperature. Qualitative phase analysis and formation of the ceramic were affirmed by XRD analysis. The X-ray powder diffraction pattern of the compound explored at room temperature affirms the single phase formation with double perovskite structure exhibiting rhombohedral phase. Microstructural analysis of the studied compound procured from the Scanning Electron Microscope (SEM) validates the formation of dense microstructures and nonuniformly distributed grains with minimal voids. Compositional analysis was shaped through the Electron Diffraction Spectroscopy (EDS) confirming the absence of contamination of any other metals apart from the mentioned ones. Dielectric (Cr and tan δ) parameters of the compound were studied using the LCR analyzer at different temperatures and wide range of frequencies. The polarization and dielectric study affirms the presence of ferroelectricity in the material with transition temperature much above the room temperature. The tangent dielectric loss of this sample being almost minimal at room temperature attributes it to find applications in different grounds of electronics. Optical equities of the ceramic were further analyzed by the RAMAN, FTIR, UV–Vis and Photoluminescence spectroscopy.
关键词： EDS,Ceramic,X-Ray diffraction,LCR,optical properties
更新于2025-11-14 14:48:53
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[IEEE 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC) - Waikoloa Village, HI, USA (2018.6.10-2018.6.15)] 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC) - Prediction and validation of solar cell-to-module and environmental losses based on refractive index data for various encapsulation materials
摘要： Updated complex refractive index data (n and (cid:2)(cid:3)(cid:4) are compiled for various commercial and research solar module encapsulants. The data are used as inputs to ray-tracing simulations to predict CTM loss for standard screen print solar modules and compared to calculations of CTM loss from actual IV and EQE measurements made at the cell and module levels. It is found that this method results in adequate predictions, with important encapsulant (cid:5)(cid:6)(cid:7)(cid:8)(cid:7)(cid:5)(cid:9)(cid:10)(cid:8)(cid:11)(cid:12)(cid:9)(cid:11)(cid:5)(cid:4)(cid:13)(cid:14)(cid:8)(cid:4)(cid:15)(cid:11)(cid:16)(cid:11)(cid:15)(cid:11)(cid:17)(cid:11)(cid:16)(cid:18)(cid:4)(cid:19)(cid:20)(cid:21)(cid:4)(cid:5)(cid:22)(cid:8)(cid:8)(cid:10)(cid:16)(cid:9)(cid:4)(cid:23)(cid:14)(cid:12)(cid:12)(cid:24)(cid:4)(cid:4)(cid:20)(cid:6)(cid:10)(cid:4)(cid:16)(cid:4)(cid:7)(cid:16)(cid:25)(cid:4)(cid:2)(cid:4)(cid:7)(cid:8)(cid:10)(cid:4) also used to predict CTM current loss following damp-heat cycling of modules.
关键词： solar module,CTM loss,encapsulant,ray-tracing,refractive index
更新于2025-10-22 19:40:53