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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Microstructure effects on the recrystallization of low-symmetry alpha-uranium

We employ electron backscatter diffraction (EBSD) to investigate microstructural evolution of uranium during recrystallization. To understand the relationship between microstructure and recrystallization, we use measures of intra-granular misorientation within grains and near grain boundaries in both deformed (non-recrystallized) uranium and recrystallizing uranium. The data show that the level of intra-granular misorientation depends on crystallographic orientation. However, contrary to expectation, this relationship does not significantly affect the recrystallization texture. Rather, the analysis suggests that recrystallization nucleation occurs along high angle grain boundaries in the deformed microstructure. Specifically, we show that the nucleation of recrystallized grains correlates well with the spatially heterogeneous distribution of high angle boundaries. Due to the inhomogeneous distribution of high angle boundaries, the recrystallized microstructure after long times exhibits clustered distributions of small and large grains. Twin boundaries do not appear to act as recrystallization nucleation sites.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructural study and simulation of intrinsic two-way shape memory behavior of functionally graded Ni-rich/NiTiCu thin film

Highlights: • Ni-rich/Ti-rich bi-layer thin film was deposited on Si by using DC magnetron sputtering. • The bi-layer exhibits the gradient structure and mechanical properties through the thickness. • The bi-layer shows intrinsic two-way shape memory effect due to functionally graded structure. • The intrinsic two-way shape memory effect was confirmed by finite element simulation. - Abstract: In this research, the gradient structure and mechanical properties of an austenitic/martensitic (Ni{sub 50.8}Ti/Ni{sub 45}TiCu{sub 5} (at.%)) bi-layer thin film was investigated. The bi-layer was deposited on a Si substrate using DC magnetron sputtering. After crystallization of the film at 773 K for 60 min, the microstructure and mechanical properties of the bi-layer thin film were characterized using X-ray diffraction (XRD), transmission electron microscopy (STEM and HRTEM) and nanoindentation, respectively. The diffraction pattern illustrated that the crystallized bi-layer was combined of martensitic and austenitic layers while secondary ion mass spectroscopy (SIMS) and high resolution transmission electron microscopy analysis demonstrated the existence of a compositional gradient through the thickness and residual strain in the interface of the bi-layer, respectively. Furthermore, the compositional gradient in the bi-layer led to gradual variations in the structure, hardness and Young's modulus through the thickness of the bi-layer. The intrinsic two-way shape memory effect due to its functionally graded structure and the induced stress was confirmed by experimental test and finite element simulation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Oxygen-Vacancy Abundant Nanoporous Ni/NiMnO 3 /MnO 2 @NiMn Electrodes with Ultrahigh Capacitance and Energy Density for Supercapacitors

High-performance energy storage devices (HPEDs) play a critical role in the realization of clean energy and thus enable the overarching pursuit of nonpolluting, green technologies. Supercapacitors are one class of such lucrative HPEDs; however, a serious limiting factor of supercapacitor technology is its sub-par energy density. Here, this report presents hitherto unchartered pathway of physical deformation, chemical dealloying, and microstructure engineering to produce ultrahigh-capacitance, energy-dense NiMn alloy electrodes. The activated electrode delivered an ultrahigh specific-capacitance of 2700 F/cm 3 at 0.5 A/cm 3 . The symmetric device showcased an excellent energy density of 96.94 Wh/L and a remarkable cycle life of 95% retention after 10,000 cycles. Transmission electron microscopy and atom probe tomography studies revealed the evolution of a unique hierarchical microstructure comprising fine Ni/NiMnO 3 nanoligaments within MnO 2 -rich nanoflakes. Theoretical analysis using density functional theory showed semimetallic nature of the nanoscaled oxygen-vacancy-rich NiMnO 3 structure, highlighting enhanced carrier concentration and electronic conductivity of the active region. Furthermore, the geometrical model of NiMnO 3 crystals revealed relatively large voids, likely providing channels for the ion intercalation/de-intercalation. The current processing approach is highly adaptable and can be applied to a wide range of material systems for designing highly efficient electrodes for energy-storage devices.

25 ENERGY STORAGE↗
DOE OSTI2012

Characterization, properties and catalytic application of TiO{sub 2} nanotubes prepared by ultrasonic-assisted sol-hydrothermal method

Graphical abstract: A novel class of titania nanotubes (TNTs) have been prepared by ultrasonic assisted sol-hydrothermal method using tetrabutyl titanate and ethanol as the precursors. The physicochemical characteristics of the catalysts were investigated by transmission electron microscopy, X-ray diffraction, Brunauer–Emmett–Teller method, Differential Scanning Calorimeters-Thermogravimetric Analysis (DSC–TG) and UV–vis absorption spectra. The photocatalytic activity of the products was evaluated in terms of reactive brilliant red X-3B in an aqueous solution under UV irradiation for 1 h. The results showed that the catalyst revealed an excellent photocatalytic activity. The degradation rate of reactive brilliant X-3B could be up to 96%. Display Omitted Highlights: ► TiO{sub 2} nanotubes were prepared by ultrasonic-assisted sol-hydrothermal method. ► TEM, HRTEM, XRD, and BET were used to study morphology and crystalline structure. ► FTIR, DSC-TG was used to investigate pyrolytic process and phase structure. ► UV–vis absorption spectra were used to evaluate the photocatalysis of catalysts. ► Dye degradation result showed that the catalyst had excellent photocatalytic activity. -- Abstract: A novel class of titania nanotubes (TNTs) have been prepared by ultrasonic assisted sol-hydrothermal method using tetrabutyl titanate and ethanol as the precursors. The physicochemical characteristics of the catalysts were investigated by transmission electron microscopy (TEM), X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) method, Differential Scanning Calorimeters-Thermogravimetric Analysis (DSC-TG) and UV–vis absorption spectra. The photocatalytic activity of the products was evaluated in terms of reactive brilliant red X-3B in an aqueous solution under UV irradiation for 1 h. The results showed that the anatase nanotubes prepared by ultrasonic assisted sol-hydrothermal method exhibited excellent photocatalytic activity. The degradation rate of reactive brilliant X-3B could be up to 96%. The high degradation rate was attributed to the good crystalline pure-phase structure of nanotubes caused by ultrasound. Furthermore, the large surface areas also played an important role in the high degradation rate.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Enhanced piezoelectric properties in (Ba1-xCax)(Ti0.90Sn0.10)O3-0.08Dy2O3 lead-free ceramics

Highlights: • MPB exists in the BCTSD ceramics with x = 0.06–0.10. • BCTSD ceramics exhibit typical diffuse phase transition behavior, which is not sensitive to the amount of Ca{sup 2+} ions. • Remarkable improvement on piezoelectric properties (d{sub 33} = 675 pC/N, k{sub p} = 55%) were achieved at x = 0.06. - Abstract: (Ba{sub 1-x}Ca{sub x})(Ti{sub 0.90}Sn{sub 0.10})O{sub 3}-0.08Dy{sub 2}O{sub 3} ceramics (BCTSD-x, x = 0.02–0.10) were fabricated by conventional solid state sintering method. The effect of Ca{sup 2+} ions addition on the phase structure, microstructure, and electric properties of ceramics were studied. X-ray diffraction analysis reveals the replacement of Ba{sup 2+} ions in the perovskite structure by Ca{sup 2+} ions. Rhombohedral phase and tetragonal phase coexist in the composition with x = 0.06–0.10. Both d{sub 33} and K{sub p} of the ceramics increase with increasing Ca concentration, and attain maximum values of 675 pC/N and 55.0%, respectively, for x = 0.06. All the ceramics present typical diffuse phase transition behavior, and the feature is not sensitive to the amount of Ca{sup 2+} ions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Self-consistent clustering analysis: an efficient multiscale scheme for inelastic heterogeneous materials

A predictive computational theory is shown for modeling complex, hierarchical materials ranging from metal alloys to polymer nanocomposites. The theory can capture complex mechanisms such as plasticity and failure that span across multiple length scales. This general multiscale material modeling theory relies on sound principles of mathematics and mechanics, and a cutting-edge reduced order modeling method named self-consistent clustering analysis (SCA) [Zeliang Liu, M.A. Bessa, Wing Kam Liu, “Self-consistent clustering analysis: An efficient multi-scale scheme for inelastic heterogeneous materials,” Comput. Methods Appl. Mech. Engrg. 306 (2016) 319–341]. SCA reduces by several orders of magnitude the computational cost of micromechanical and concurrent multiscale simulations, while retaining the microstructure information. This remarkable increase in efficiency is achieved with a data-driven clustering method. Computationally expensive operations are performed in the so-called offline stage, where degrees of freedom (DOFs) are agglomerated into clusters. The interaction tensor of these clusters is computed. In the online or predictive stage, the Lippmann-Schwinger integral equation is solved cluster-wise using a self-consistent scheme to ensure solution accuracy and avoid path dependence. To construct a concurrent multiscale model, this scheme is applied at each material point in a macroscale structure, replacing a conventional constitutive model with the average response computed from the microscale model using just the SCA online stage. A regularized damage theory is incorporated in the microscale that avoids the mesh and RVE size dependence that commonly plagues microscale damage calculations. The SCA method is illustrated with two cases: a carbon fiber reinforced polymer (CFRP) structure with the concurrent multiscale model and an application to fatigue prediction for additively manufactured metals. For the CFRP problem, a speed up estimated to be about 43,000 is achieved by using the SCA method, as opposed to FE2, enabling the solution of an otherwise computationally intractable problem. The second example uses a crystal plasticity constitutive law and computes the fatigue potency of extrinsic microscale features such as voids. This shows that local stress and strain are capture sufficiently well by SCA. This model has been incorporated in a process-structure-properties prediction framework for process design in additive manufacturing.

Liu, Z.↗
DOE OSTI2016

3D printed cellular solid outperforms traditional stochastic foam in long-term mechanical response

3D printing of polymeric foams by direct-ink-write is a recent technological breakthrough that enables the creation of versatile compressible solids with programmable microstructure, customizable shapes, and tunable mechanical response including negative elastic modulus. However, in many applications the success of these 3D printed materials as a viable replacement for traditional stochastic foams critically depends on their mechanical performance and micro-architectural stability while deployed under long-term mechanical strain. To predict the long-term performance of the two types of foams we employed multi-year-long accelerated aging studies under compressive strain followed by a time-temperature-superposition analysis using a minimum-arc-length-based algorithm. The resulting master curves predict superior long-term performance of the 3D printed foam in terms of two different metrics, i.e., compression set and load retention. To gain deeper understanding, we imaged the microstructure of both foams using X-ray computed tomography, and performed finite-element analysis of the mechanical response within these microstructures. As a result, this indicates a wider stress variation in the stochastic foam with points of more extreme local stress as compared to the 3D printed material, which might explain the latter’s improved long-term stability and mechanical performance.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Binder characterisation of mortars used at different ages in the San Lorenzo church in Milan

The paper describes a study on the mortars of the basilica of San Lorenzo in Milan, which was carried out to support an archaeological study aimed at dating and documenting the construction techniques used throughout the centuries. The church, which was founded between the 4th and 5th century, at the end of the period when Milan was the capital of the Roman Empire, was subjected in time to extensions, collapses and reconstructions that lasted until the Renaissance period and even later on. Thanks to the good state of conservation, San Lorenzo church is a collection of materials and construction techniques throughout a period of more than a millennium. Mortars were investigated in order to compare the binders used for structural elements built in different historical ages. From an archaeological study, samples of mortars attributed to the late Roman period, the Middle Ages and the Renaissance were available. The binder of each sample was separated by the aggregates and it was characterised on the basis of X-ray diffraction analysis, thermogravimetric analysis and scanning electron microscopy. Constituents of the binder were identified and their origin is discussed in order to investigate if they could be attributed to the original composition of the binder or to possible alteration in time due to atmospheric pollution. Results show that, even though the binder is mainly based on magnesian lime, there are significant differences in the microstructure of the binding matrix used in mortars ascribed to the different historical periods. In the Roman period, in correspondence of the structural elements that required higher strength, also hydraulic cocciopesto mortars were detected. Gypsum was found in most samples, which was maybe added intentionally. - Highlights: • Binders of mortars of San Lorenzo church in Milan were investigated. • Roman, Middle Ages and Renaissance samples were studied by XRD, TG and SEM. • Magnesian-lime binders containing silico-aluminates were used in all periods. • Cocciopesto hydraulic mortars were used only in the Roman period. • Gypsum was found in most samples, which was maybe added intentionally.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Laser shock peening effect on the dislocation transitions and grain refinement of Al–Mg–Si alloy

This paper systematically investigates the effect of laser shock peening without coating parameters on the microstructural evolution, and dislocation configurations induced by ultra-high plastic strains and strain rates. Based on an analysis of optical microscopy, polarized light microscopy, transmission electron microscopy observations and residual stress analysis, the significant influence of laser shock peening parameters due to the effect of plasma generation and shock wave propagation has been confirmed. Although the optical microscopy results revealed no significant microstructural changes after laser shock peening, i.e. no heat effect zone and differences in the distribution of second-phase particles, expressive influence of laser treatment parameters on the laser shock induced craters was confirmed. Moreover, polarized light microscopy results have confirmed the existence of well-defined longish grains up to 455 μm in length in the centre of the plate due to the rolling effect, and randomly oriented smaller grains (20 μm × 50 μm) in the surface due to the static recrystallization effect. Laser shock peening is reflected in an exceptional increase in dislocation density with various configurations, i.e. dislocation lines, dislocation cells, dislocation tangles, and the formation of dense dislocation walls. More importantly, the microstructure is considerably refined due to the effect of strain deformations induced by laser shock peening process. The results have confirmed that dense dislocation structures during ultra-high plastic deformation with the addition of shear bands producing ultra-fine (60–200 nm) and nano-grains (20–50 nm). Furthermore, dislocation density was increased by a factor of 2.5 compared to the untreated material (29 × 10{sup 13} m{sup −2} vs. 12 × 10{sup 13} m{sup −2}). - Highlights: • LSPwC imparts high compressive residual stresses up to − 362 ± 31 MPa. • After LSPwC the microstructure is considerably refined via dislocation transitions. • Results confirmed ultra-fine (60–200 nm) and nano-grains (20–50 nm) after LSPwC. • Reasonable agreements between dislocation density and residual stress are obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of void positioning on the detonation sensitivity of a heterogeneous energetic material

We show although it is well-established that voids profoundly influence the initiation and reaction behaviors of heterogeneous energetic materials such as polymer-bonded explosives (PBX) and propellants, there has been little study of how void location in different constituents in the microstructures of such materials affect the macroscale behavior. Here, we use three-dimensional (3D) mesoscale simulations to study how void placement within the reactive grains versus the polymer binder influences the shock-to-detonation transition (SDT) in a polymer-bonded explosive. The material studied here has a microstructure comprised of 75% PETN (pentaerythritol tetranitrate) grains and 25% HTPB (hydroxyl-terminated polybutadiene) polymer binder by volume. Porosities up to 10% in the form of spherical voids distributed in both the grains and polymer are considered. An Arrhenius reactive burn relation is used to model the chemical kinetics of the PETN grains under shock loading, thereby resolving the heterogeneous detonation behavior of the PBX. The influence of void location on the shock initiation sensitivity of the material is quantitatively ranked by comparing the predicted run distance to detonation (RDD) for each sample. The analysis includes inherent quantification of uncertainties arising from the stochastic variations in the microstructure morphologies and void distributions by using statistically equivalent microstructure sample sets (SEMSS), leading to probabilistic formulations for the RDD as a function of shock pressure. The calculations reveal that the location of voids in the composite microstructure significantly affects the RDD. Specifically, voids exclusively within the grains cause the PBX to be more sensitive (having shorter RDD) than voids in the polymer binder. Unique probabilistic relationships are derived to map the probability of observing RDD for each void location material case, allowing for prediction of initiation behavior anywhere in the shock pressure – RDD space. These findings agree with trends reported in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Thermal Analysis of Cerium-Treated Chill-Cast Al-23 Si Alloy

The influence of elemental cerium addition on the cooling curve parameters and microstructure of hypereutectic Al-23Si alloy was investigated in this work. The cooling rate of the treated and untreated alloy samples was varied by solidifying the melt against chills of different materials in a stainless-steel tube. The cooling curve was recorded and nucleation temperatures of various phases in the alloy were measured. The results show that the chilling improves the effectiveness of the modifier. The two main phases of the alloy, primary silicon and eutectic silicon, were nucleated at temperatures of about 661.2 and 571.6 °C, respectively. The addition of Ce to slowly cooled alloys resulted in an increase in undercooling temperature of both the phases, with a decrease in its nucleation temperature, whereas the same additions increased the nucleation temperatures in chilled alloys. Based on the thermal analysis results, a relation between thermal analysis parameter (ΔT{sub G}) and silicon particle size of the alloy was proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structures, electrical properties, and leakage current behaviors of un-doped and Mn-doped lead-free ferroelectric K{sub 0.5}Na{sub 0.5}NbO{sub 3} films

Lead-free ferroelectric un-doped and doped K{sub 0.5}Na{sub 0.5}NbO{sub 3} (KNN) films with different amounts of manganese (Mn) were prepared by a chemical solution deposition method. The thicknesses of all films are about 1.6 μm. Their phase, microstructure, leakage current behavior, and electrical properties were investigated. With increasing the amounts of Mn, the crystallinity became worse. Fortunately, the electrical properties were improved due to the decreased leakage current density after Mn-doping. The study on leakage behaviors shows that the dominant conduction mechanism at low electric field in the un-doped KNN film is ohmic mode and that at high electric field is space-charge-limited and Pool-Frenkel emission. After Mn doping, the dominant conduction mechanism at high electric field of KNN films changed single space-charge-limited. However, the introduction of higher amount of Mn into the KNN film would lead to a changed conduction mechanism from space-charge-limited to ohmic mode. Consequently, there exists an optimal amount of Mn doping of 2.0 mol. %. The 2.0 mol. % Mn doped KNN film shows the lowest leakage current density and the best electrical properties. With the secondary ion mass spectroscopies and x-ray photoelectron spectroscopy analyses, the homogeneous distribution in the KNN films and entrance of Mn element in the lattice of KNN perovskite structure were also confirmed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Microstructure, texture evolution and magnetic properties of strip-casting non-oriented 6.5 wt.% Si electrical steel doped with cerium

A 0.3 mm thick non-oriented 6.5 wt.% Si electrical steel sheet doped with cerium is produced by twin-roll strip casting, hot rolling, warm rolling and annealing. A detailed study of the cerium precipitates in the as-cast strip, microstructure and texture evolution at different processing stages is carried out by electron probe micro-analysis, optical microscopy, X-ray diffraction and electron backscattered diffraction analysis. Grain interior distributing precipitates identified as Ce-oxides, Ce-oxysulfides and Ce-phosphides, and boundary distributing Ce-oxides and Ce-phosphides are observed in the as-cast strip. The initial as-cast strip is characterized by a much finer solidification microstructure and dominated by obvious < 001 >//ND texture through the strip thickness. After hot and warm rolling, inhomogeneous microstructure containing large amounts of in-grain shear bands is characterized by mixed < 110 >//RD and < 111 >//ND textures. The texture of the annealed sheet with a relatively large average grain size is far more optimized by the domination of the beneficial cube, rotated cube, (001)< 120 > to (001)< 130 > and Goss texture components, and the elimination of the detrimental γ-fiber texture, leading to a superior magnetic induction and improved iron loss. - Highlights: • An Fe–6.5 wt.% Si as-cast strip doped with cerium was produced. • A thin warm rolled sheet with limited edge cracks was obtained. • Microstructure and texture evolution at each stage were investigated. • Strong λ-fiber and Goss recrystallization textures were formed. • The magnetic properties of the annealed sheet were significantly improved.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Microstructure and partitioning behavior characteristics in low carbon steels treated by hot-rolling direct quenching and dynamical partitioning processes

In this work, a new process and composition design are proposed for “quenching and partitioning” or Q&P treatment. Three low carbon steels were treated by hot-rolling direct quenching and dynamical partitioning processes (DQ&P). The effects of proeutectoid ferrite and carbon concentration on microstructure evolution and mechanical properties were investigated. The present work obtained DQ&P prototype steels with good mechanical properties and established a new notion on compositions for Q&P processing. Microstructures were characterized by means of electro probe microanalyzer (EPMA), scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), transmission electron microscopy (TEM) and X-ray diffraction (XRD), especially the morphology and size of retained austenite. Mechanical properties were measured by uniaxial tensile tests. The results indicated that introducing proeutectoid ferrite can increase the volume fraction of retained austenite and thus improve mechanical properties. TEM observation showed that retained austenite included the film-like inter-lath austenite and blocky austenite located in martensite/ferrite interfaces or surrounded by ferrites. It was interesting that when the carbon concentration is as low as ~ 0.078%, the film-like inter-lath untransformed austenite cannot be stabilized to room temperature and almost all of them transformed into twin martensite. The blocky retained austenite strengthened the interfaces and transformed into twin martensite during the tensile deformation process. The PSEs of specimens all exceeded 20 GPa.%. - Highlights: •This study focused on a new process: Q&P process applying dynamical partitioning. •Ferrite can increase the volume fraction of retained austenite. •The film-like austenite and the blocky austenite were observed. •The low carbon steels treated by new process reached PSEs higher than 20 GPa.%.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A comparative analysis of YOLOv8 and U-Net image segmentation approaches for transmission electron micrographs of polycrystalline thin films

Metallic thin films offer a platform to experimentally study the dynamics of microstructural evolution, but the required transmission electron microscopy (TEM)-based imaging generates complex images that are challenging to segment and quantify. This work provides a comparative analysis of a new YOLOv8 model and an established U-Net model for bright-field TEM images of polycrystals, employing a framework leveraging physical observables to evaluate performance against two hand-traced benchmark datasets. This methodology obviates the comparison of large, diversely structured, and manually labeled datasets that are required to assess performance on a per-image/per-pixel basis. It is found that the YOLOv8 model, adapted for real-time instance segmentation, has up to 43× faster inferencing (NVIDIA GeForce RTX 4090) compared to U-Net and reconstructs hand-traced grain size distributions (GSDs) with excellent fidelity, finding mean diameter within 3% for grains near an optimal magnification; for grains that deviate from the optimal pixel-diameter, the size of small- (large)-diameter grains is systematically over- (under)-estimated. This is partially mitigated by including scale-aware augmentations during training. Moreover, when the bias is corrected post-inference by a rigid shift in distribution, the YOLOv8 model reproduces ground truth GSDs with exceptional fidelity, with statistical tests indicating <5% probability that the distributions are distinct. Based on ground truth data, calibration curves pertaining to this shift can be constructed for a given model. This issue is not present in the U-Net model’s results, indicating that for quantitative measurements where the true size of objects is of interest, special procedures must be implemented for YOLO-based models.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Water retention and gas relative permeability of two industrial concretes

This experimental study aims at identifying the water retention properties of two industrial concretes to be used for long term underground nuclear waste storage structures. Together with water retention, gas transfer properties are identified at varying water saturation level, i.e. relative gas permeability is assessed directly as a function of water saturation level S{sub w}. The influence of the initial de-sorption path and of the subsequent re-saturation are analysed both in terms of water retention and gas transfer properties. Also, the influence of concrete microstructure upon water retention and relative gas permeability is assessed, using porosity measurements, analysis of the BET theory from water retention properties, and MIP. Finally, a single relative gas permeability curve is proposed for each concrete, based on Van Genuchten-Mualem's statistical model, to be used for continuous modelling approaches of concrete structures, both during drying and imbibition.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Microstructures and photocatalytic properties of Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films prepared by sol-gel method

Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films were successfully prepared by the improved sol-gel and doping processes. The as-prepared specimens were characterized using differential thermal analysis-thermogravimetry (DTA-TG), X-ray diffraction (XRD), high-resolution field emission scanning electron microscopy (FE-SEM), X-ray energy dispersive spectroscopy (EDS), Brunauer-Emmett-Teller (BET) surface area, Photoluminescence spectrum (PL) and UV-vis diffuse reflectance spectroscopy. The photocatalytic activities of the films were evaluated by degradation of an organic dye in aqueous solution. The results of XRD, FE-SEM and BET analyses indicated that the TiO{sub 2} films were composed of nano-particles or aggregates with a size of less than 10 nm. With the codoping of Ag{sup +} and La{sup 3+}, TiO{sub 2} films with high photocatalytic activity and clearly responsive to the visible light were obtained. The improvement mechanism by ions doping was also discussed. - Graphical Abstract: The PL intensity of Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} was the lowest among all samples, indicating the recombination of electron and hole was effectively prohibited compared with pure TiO{sub 2}, Ag{sup +} and La{sup 3+} bulk codoped TiO{sub 2}. Highlights: > Ag{sup +} and La{sup 3+} codoping can reduce the crystal size of TiO{sub 2}. > Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films have an obvious optical response red-shift. > Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films can exhibit excellent photocatalytic activity under both UV and visible light irradiations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synthesis of δ-Bi2O3/Bi2MoO6 composites with enhanced photocatalytic activity by hydrothermal method

Highlights: • The δ-Bi{sub 2}O{sub 3}/Bi{sub 2}MoO{sub 6} composites were first synthesized by hydrothermal method. • The product was δ-Bi{sub 2}O{sub 3} rather than α-Bi{sub 2}O{sub 3} with the preset of Bi{sub 2}MoO{sub 6}. • The composites show enhanced photocatalytic activity compared to Bi{sub 2}MoO{sub 6}, α- and δ-Bi{sub 2}O{sub 3}. • The excellent photocatalytic performance was attributed to δ- Bi{sub 2}O{sub 3}/Bi{sub 2}MoO{sub 6} heterojunctions. - Abstract: The δ-Bi{sub 2}O{sub 3}/Bi{sub 2}MoO{sub 6} composites were synthesized by hydrothermal method and the microstructure and photocatalytic property were characterized. The X-ray diffraction (XRD) analysis revealed that δ-Bi{sub 2}O{sub 3} was obtained with the existence of Bi{sub 2}MoO{sub 6}, while the product was α-Bi{sub 2}O{sub 3} without Bi{sub 2}MoO{sub 6} under the same experimental condition. The SEM images and the selected area electron diffraction (SAED) patterns have further verified that δ-Bi{sub 2}O{sub 3} was deposited on Bi{sub 2}MoO{sub 6}. The X-ray photoelectron spectroscopy (XPS) spectrum confirmed that the composites were composed of δ-Bi{sub 2}O{sub 3} and Bi{sub 2}MoO{sub 6}, while a fraction of Mo changed from Mo{sup 6+} to Mo{sup 5+}. The coexistence of Mo{sup 5+}/Mo{sup 6+} can be a critical factor in the formation of stable δ-Bi{sub 2}O{sub 3} on Bi{sub 2}MoO{sub 6}. Particularly, the δ-Bi{sub 2}O{sub 3}/Bi{sub 2}MoO{sub 6} photocatalysts possess favorable photocatalytic performance under simulated sunlight illumination since the recombination of photogenerated electrons and holes was inhibited due to the p-n junction at the interface of δ-Bi{sub 2}O{sub 3} and Bi{sub 2}MoO{sub 6}, and the mechanism was discussed in detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗