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At least 1,171 records · Page 65

A deep learning-accelerated data assimilation and forecasting workflow for commercial-scale geologic carbon storage

Fast assimilation of monitoring data to update forecasts of pressure buildup and carbon dioxide (CO 2 ) plume migration under geologic uncertainties is a challenging problem in geologic carbon storage. The high computational cost of data assimilation with a high-dimensional parameter space impedes fast decision-making for commercial-scale reservoir management. We propose to leverage physical understandings of porous medium flow behavior with deep learning techniques to develop a fast data assimilation-reservoir response forecasting workflow. Applying an Ensemble Smoother Multiple Data Assimilation (ES-MDA) framework, the workflow updates geologic properties and predicts reservoir performance with quantified uncertainty from pressure history and CO 2 plumes interpreted through seismic inversion. As the most computationally expensive component in such a workflow is reservoir simulation, we developed surrogate models to predict dynamic pressure and CO 2 plume extents under multi-well injection. The surrogate models employ deep convolutional neural networks, specifically, a wide residual network and a residual U-Net. The workflow is validated against a flat threedimensional reservoir model representative of a clastic shelf depositional environment. Intelligent treatments are applied to bridge between quantities in a true-3D reservoir model and those in a single-layer reservoir model. The workflow can complete history matching and reservoir forecasting with uncertainty quantification in less than one hour on a mainstream personal workstation.

25 ENERGY STORAGE↗

Gigaton commercial-scale carbon storage and mineralization potential in stacked Columbia River basalt reservoirs

This work presents a detailed supercritical CO 2 storage resource estimation for the stacked basalt reservoirs in the Grande Ronde Basalt of the Columbia River Basalt Group in eastern Washington and Oregon. The assessment aims to derisk the commercialization potential of geologic carbon storage in basalt by leveraging both structural and mineralization trapping of CO 2 in basalt. The structural closures formed by anticlinal ridges and synclinal valleys in Yakima Fold Belt are excellent physical traps to accommodate injected supercritical CO 2 . Rigorous hydraulic testing, well logs and simulation results from the Wallula Basalt Pilot #1 well showed the occurrence of 17 suitable permeable injection zones (up to 2,496 mD) intercalated with dense seals (~2.6E-10 mD) in the Grand Ronde Basalt. In addition, geochemical studies showed fast reactions between supercritical CO 2 and dissolved basalt minerals to form stable carbonates. In conclusion, our calculation indicates up to 40 gigatons (P90) of mineralization storage resources exist in the Grande Ronde Basalt reservoirs.

58 GEOSCIENCES↗

Dual-scale folding in cutting of commercially pure aluminum alloys

We examine a, hitherto, little-studied and curious machining chip morphology, with tell-tale signs of folding at two different length scales, that is common in cutting of certain ductile and highly strain-hardening metals like soft aluminum alloys, tantalum and niobium. This chip morphology does not appear in the usual catalogues of common chip types. The mechanics of formation of the “dual-scale folded chip” is studied in model material systems of commercially pure aluminum alloys (AA 1100 and AA 8040), that prominently exhibit this chip morphology. The flow, folding and associated plastic instabilities are investigated using micro/macro structure observations of the chip in a plane-strain cutting framework, with high-speed in situ imaging and image analysis of material flow; and force measurements. The smaller-scale folding is shown to develop in the primary deformation zone while the larger-scale folding occurs as the chip traverses the rake face of the tool. The resulting chip is composed of irregularly-spaced large folds, superimposed onto which are the quasi periodic small folds. The representative wavelengths of the two folds differ on average by an order of magnitude, 0.1 mm vs. 2 mm. The observations reveal a direct coupling between the material flow and chip morphology, and how specific attributes of the dual-scale folded chip arise from the flow mechanism. Plastic buckling is found to play a key role in the folding at both length scales. The small-scale folds are characteristic of a sinuous plastic flow mode, while the large-scale folding is characterized by buckling and stick-slip along the tool rake face, triggered by adhesive pinning of the chip to the tool. Important consequences of the dualscale folding are very large cutting forces, and force oscillations of large amplitude, despite the alloys being very soft, only ~ 25 HV. Here, the dual-scale folding is why many of these alloys are classified as “gummy” to machine. Since the dual-scale folded chip is associated with large cutting forces and poor surface quality, there is much to be gained by disrupting this flow type in practical machining applications. Methods for controlling the folding to improve machining performance with the gummy alloys are briefly discussed.

36 MATERIALS SCIENCE↗

Effect of Dosimetric Outliers on the Performance of a Commercial Knowledge-Based Planning Solution

Purpose: RapidPlan, a commercial knowledge-based planning solution, uses a model library containing the geometry and associated dosimetry of existing plans. This model predicts achievable dosimetry for prospective patients that can be used to guide plan optimization. However, it is unknown how suboptimal model plans (outliers) influence the predictions or resulting plans. We investigated the effect of, first, removing outliers from the model (cleaning it) and subsequently adding deliberate dosimetric outliers. Methods and Materials: Clinical plans from 70 head and neck cancer patients comprised the uncleaned (UC) Model{sub UC}, from which outliers were cleaned (C) to create Model{sub C}. The last 5 to 40 patients of Model{sub C} were replanned with no attempt to spare the salivary glands. These substantial dosimetric outliers were reintroduced to the model in increments of 5, creating Model{sub 5} to Model{sub 40} (Model{sub 5-40}). These models were used to create plans for a 10-patient evaluation group. Plans from Model{sub UC} and Model{sub C}, and Model{sub C} and Model{sub 5-40} were compared on the basis of boost (B) and elective (E) target volume homogeneity indexes (HI{sub B}/HI{sub E}) and mean doses to oral cavity, composite salivary glands (comp{sub sal}) and swallowing (comp{sub swal}) structures. Results: On average, outlier removal (Model{sub C} vs Model{sub UC}) had minimal effects on HI{sub B}/HI{sub E} (0%-0.4%) and sparing of organs at risk (mean dose difference to oral cavity and comp{sub sal}/comp{sub swal} were ≤0.4 Gy). Model{sub 5-10} marginally improved comp{sub sal} sparing, whereas adding a larger number of outliers (Model{sub 20-40}) led to deteriorations in comp{sub sal} up to 3.9 Gy, on average. These increases are modest compared to the 14.9 Gy dose increases in the added outlier plans, due to the placement of optimization objectives below the inferior boundary of the dose-volume histogram-predicted range. Conclusions: Overall, dosimetric outlier removal from or addition of 5 to 10 outliers to a 70-patient model had marginal effects on resulting plan quality. Although the addition of >20 outliers deteriorated plan quality, the effect was modest. In this study, RapidPlan demonstrated robustness for moderate proportions of salivary gland dosimetric outliers.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Natural variability and antioxidant properties of commercially cultivated switchgrass extractives

Optimum utilization of lignocellulosic bioenergy feedstock, such as switchgrass, via recovery of value-added phytochemicals and reduction of waste streams will increase the economic feasibility as well as the sustainability of integrated biorefineries. Switchgrass contains significant amount of overlooked non-structural components, i.e. extractives, which encompasses phenolic derivatives with potential antimicrobial and antioxidant properties. As a perennial crop, it is essential to assess the natural variability of switchgrass extractives content and composition in order to determine the feasibility of its extraction and utilization. In this study, three switchgrass cultivars were harvested from four commercial farms in their second and third growing seasons. Their respective extractive fractions were characterized for the presence of free sugars, total phenolics (TPC), hydroxycinnamic acid (HCAs) derivatives, total flavonols, and other important phytochemicals. Biomass harvested in the third growing season displayed greater amounts of TPC, HCAs, and total flavonols. Environmental conditions such as total precipitation, and cultural practices including harvest time, played important roles in the accumulation of TPC. As a result, the switchgrass extractives also exhibited DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging activity with a positive correlation between inhibiting concentration (IC 50 ) value and total flavonols content.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluating commercial feasibility of a new tall wind tower design concept using a stochastic levelized cost of energy model

Wind power generation has seen a dramatic increase in the 21st century and the Department of Energy (DOE) envisions that wind energy will become a much larger part of overall power generation in the U.S. by 2050. Wind turbines have continued to grow in size during the last few decades with towers commonly built at a height of 80 m for typical utility-scale turbines in the Unites States, and this is accompanied by certain transportation and logistics challenges. The newly proposed tall tower technology has been designed to be cost-effective in assembling towers as high as 140 m from precast concrete module components that are capable of transport on the U.S. road system. This paper presents an alternative wind tower design with potential for reducing the overall levelized cost of energy (LCOE); it evaluates a hexagonal precast concrete wind tower solution that facilitates use of a taller wind turbine generator for harvesting stronger, steadier, and more frequent wind resources to increase wind energy production and lower the overall LCOE. An integrated team of industry experts was consulted to support development of a stochastic life cycle cost model using a parametric estimate of the cost and fabrication and assembly schedules of this new wind tower design concept as well as forecasting the projected revenue to be created by the new technology. The study concludes that this new design concept is a commercially viable solution, with an estimated LCOE savings ranging from 2% to 4% compared with the typical 80 m turbine deployed in the United States, and it also provides wind power potential to previously untapped regions in the country. This article helps to inform energy developers, manufacturers, and policy makers, both regionally and nationally, of a possible economically feasible wind tower design solution.

17 WIND ENERGY↗

Synthesis and photocatalytic activity of TiO 2 nanowires in the degradation of p-aminobenzoic acid: A comparative study with a commercial catalyst

The photocatalytic degradation of p-aminobenzoic acid was studied using TiO 2 nanowires as the catalyst synthesized through a hydrothermal procedure. The as-synthesized TiO 2 nanowires were fully characterized by SEM, TEM, XRD and Raman with a very high surface area of 512 m 2 g -1 . In addition, the photocatalytic degradation of p-aminobenzoic acid was carried out under 180 min of constant radiation and the results were compared with P25 as commercial catalyst. Optimal experimental conditions were determined for TiO 2 nanowires with a catalyst dosage of 1.0 g L -1 under acidic conditions with a 20 μM p-aminobenzoic acid solution obtaining 95% of degradation. Under similar experimental conditions comparative studies were performed obtaining 98% of degradation when P25 is employed. Finally, in both systems, a pseudo first order reaction was found to provide the best correlations, with constant rates of 2.0 x 10 -2 min -1 and 2.4 x 10 -2 min -1 for TiO 2 nanowires and P25, respectively.

36 MATERIALS SCIENCE↗

Irradiation response of commercial, high-Tc superconducting tapes: Electromagnetic transport properties

Effects of low dose irradiation on the electrical transport current properties of commercially available high-temperature superconducting, coated-conductor tapes were investigated, in view of potential applications in the irradiative environment of fusion reactors. Three different tapes, each with unique as-grown flux-pinning structures, were irradiated with Au and Ni ions at energies that provide a range of damage effects, with accumulated damage levels near that expected for conductors in a fusion reactor environment. Measurements using transport current determined the pre- and post-irradiation resistivity, critical current density, and pinning force density, yielding critical temperatures, irreversibility lines, and inferred vortex creep rates. Results show that at the irradiation damage levels tested, any detriment to as-grown pre-irradiation properties is modest; indeed in one case already-superior pinning forces are enhanced, leading to higher critical currents.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Heterogeneous dislocation loop formation near grain boundaries in a neutron-irradiated commercial FeCrAl alloy

FeCrAl alloys are an attractive materials class for nuclear power applications due to their increased environmental compatibility over more traditional nuclear materials. Preliminary studies into the radiation tolerance of FeCrAl alloys under accelerated neutron testing between 300-400 °C have shown post-irradiation microstructures containing dislocation loops and Cr-rich ' phase. Although these initial works established the post-irradiation microstructures, little to no focus was applied towards the influence of pre-irradiation microstructures on this response. Here, a well annealed commercial FeCrAl alloy, Alkrothal 720, was neutron irradiated to 1.8 dpa at 382 °C and then the role of random high angle grain boundaries on the spatial distribution and size of dislocation loops, dislocation loops, and black dot damage was analyzed using on-zone scanning transmission electron microscopy. Results showed a clear heterogeneous dislocation loop formation with dislocation loops showing an increased number density and size, black dot damage showing a significant number density decrease, and an increased size of dislocation loops in the vicinity directly adjacent to the grain boundary. Lastly, these results suggest the importance of the pre-irradiation microstructure on the radiation tolerance of FeCrAl alloys.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of modeling and experimental data inconsistencies from burst testing for high-burnup commercial fuel rod applications

Fuel fragmentation, relocation, and dispersal are some of the largest issues remaining in the nuclear industry before rod-average burnup can be increased beyond 62 GWd/tU. The issue is primarily related to the potential for fuel to be dispersed into the reactor primary system, which may increase public risk. One way to prevent dispersal is to avoid cladding burst. The objective of this work is to support the high burnup safety case by evaluating cladding burst under high-burnup, full-length fuel rods and to identify uncertainties that could improve model predictions. The results of this analysis will evaluate realistic, prototypic loss-of-coolant accident (LOCA) conditions; support future cladding burst test designs; and inform the development of mechanistic material models. Realistic high-burnup operating conditions were implemented in the BISON fuel performance code to simulate steady-state and LOCA transient fuel rod evolution to the point at which cladding burst occurred. Parametric studies are performed to assess code response to changes in rod internal pressures and heating rates. Results were compared with simulated LOCA experiments to identify inconsistencies between commercial fuel rod analysis and experimental validation. The representative full-length fuel rod LOCA simulation results did not agree with cladding burst tests. Cladding burst tests indicated burst occurring well below (100–150 °C) those calculated in the full-length fuel rod LOCA analysis. Further investigation indicated that the cladding burst tests do not appear to be representative for full-length fuel rods. The inconsistency investigated in this work showed that the differences between the BISON simulation and the experiment's cladding burst conditions arise from an incomplete characterization of the cladding surface temperature, detailed rodlet characterization, lack of cladding strain measurements, and uncertainty in the cladding creep and failure models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Natural isotopic compositions of titanium, iron, and nickel observed in commercial fuel pellets – Promising candidate elements for stable isotope tagging

Stable isotope taggants would constitute unique identifiers for nuclear fuel cycle materials, resulting in expedited timelines and high confidence provenance assessments for nuclear forensics investigations. However, reliably identifying and interpreting stable isotope taggants in nuclear materials recovered from outside of regulatory control will largely be predicated on the assumption that the taggant element intrinsic to the untagged nuclear material exhibits natural isotopic ratios. Here, we present high-precision Ti, Fe, and Ni isotope compositions in 13 commercial low-enriched uranium (LEU) fuel pellets to assess the suitability of these transition metals as stable isotope taggants. Our investigations reveal limited isotope variations among the fuel pellets in all three elements, which are consistent with small mass-dependent isotope fractionations, comparable to variations previously reported for natural samples. In practice, isotopically tagged nuclear materials are expected to fall along isotopic mixing lines, since intrinsic background levels of taggant elements dilute the taggant towards natural isotope compositions. Furthermore, the observation that Ti, Fe, and Ni isotope compositions in a suite of LEU fuel pellets are close to or indistinguishable from estimates for the Bulk Silicate Earth demonstrates that a two end-member mixing assumption would be valid for these transition metals, indicating that all three are promising candidate elements for stable isotope tagging. Finally, we present mass balance calculations to quantify isotopic perturbations expected from admixing isotopically anomalous Ti, Fe, and Ni taggants to assess the interplay between elemental and taggant concentrations and find favorable compromises for facilitating successful taggant identification with current analytical methods.

Intentional forensics↗

Understanding the crack formation of graphite particles in cycled commercial lithium-ion batteries by focused ion beam - scanning electron microscopy

Here in this paper, the structure degradation of commercial Lithium-ion battery (LIB) graphite anodes with different cycling numbers and charge rates was investigated by focused ion beam (FIB) and scanning electron microscopy (SEM). The cross-section image of graphite anode by FIB milling shows that cracks, resulted in the volume expansion of graphite electrode during long-term cycling, were formed in parallel with the current collector. The crack occurs in the bulk of graphite particles near the lithium insertion surface, which might derive from the stress induced during lithiation and de-lithiation cycles. Subsequently, crack takes place along grain boundaries of the polycrystalline graphite, but only in the direction parallel with the current collector. Furthermore, fast charge graphite electrodes are more prone to form cracks since the tensile strength of graphite is more likely to be surpassed at higher charge rates. Therefore, for LIBs long-term or high charge rate applications, the tensile strength of graphite anode should be taken into account.

25 ENERGY STORAGE↗

Comparative study of phase transition and textural changes upon calcination of two commercial titania samples: A pure anatase and a mixed anatase-rutile

The effect of calcination temperature and time on structural and textural changes of two commercial TiO{sub 2} samples (pure anatase and a mixture of anatase and rutile) has been investigated using N{sub 2} physisorption, ex-situ and in-situ X-ray powder diffraction, differential scanning calorimetry and UV–vis diffuse reflectance spectroscopy. The increase of the calcination temperature (up to 700 °C) and time (up to 8 h) causes only textural changes in the pure anatase, whereas a transformation of the anatase to rutile takes place, in addition, in the mixed titania (containing anatase and rutile). The textural changes observed in pure anatase sample were attributed to solid state diffusion leading to an increase in the size of anatase nanocrystals, through sintering. Thus, the mean pore diameter shifts to higher values and the pore volume and specific surface area decrease. The successful application of the Johnson–Mehl–Avrami–Kolmogorov model in the kinetic data concerning the pure anatase indicates a mass transfer control of sintering process. Similar textural changes were also observed upon calcination of the sample containing anatase and rutile. In this case not only sintering but the anatase to rutile transformation contributes also to the textural changes. Kinetic analysis showed that the rutile nanocrystals in the mixed titania served as seed for by-passing the high energy barrier nucleation step allowing/facilitating thus the anatase to rutile transformation. A fine control of the anatase to rutile ratio and thus of energy-gap and the population of hetero-junctions may be obtained by adjusting the calcination temperature and time. - Graphical Abstract: Dependence of anatase content of P25 on the calcination temperature (600 °C (■), 650 °C (●), 700 °C (▲)) and time. - Highlights: • Increase of calcination temperature up to 800 °C and time up to 8 h causes only textural changes in pure anatase • Progressive transformation of anatase to rutile with time takes place in the mixed titania above 600 °C • A high activation energy barrier inhibits the solid state transformation in pure anatase • Rutile nanocrystals in mixed titania serve as seeding for favouring transformation • Calcination temperature and time allow a fine control of E{sub g} and heterojunctions population in mixed titania.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fabrication of nanotube arrays on commercially pure titanium and their apatite-forming ability in a simulated body fluid

In this study, we investigated self-organized TiO{sub 2} nanotubes that were grown using anodization of commercially pure titanium at 5 V or 10 V in NH{sub 4}F/NaCl electrolyte. The nanotube arrays were annealed at 450 °C for 3 h to convert the amorphous nanotubes to anatase and then they were immersed in simulated body fluid at 37 °C for 0.5, 1, and 14 days. The purpose of this experiment was to evaluate the apatite-formation abilities of anodized Ti nanotubes with different tube diameters and lengths. The nanotubes that formed on the surfaces of Ti were examined using a field emission scanning electron microscope, X-ray diffraction, and X-ray photoelectron spectroscope. When the anodizing potential was increased from 5 V to 10 V, the pore diameter of the nanotube increased from approximately 24–30 nm to 35–53 nm, and the tube length increased from approximately 590 nm to 730 nm. In vitro testing of the heat-treated nanotube arrays indicated that Ca-P formation occurred after only 1 day of immersion in simulated body fluid. This result was particularly apparent in the samples that were anodized at 10 V. It was also found that the thickness of the Ca-P layer increases as the applied potential for anodized c.p. Ti increases. The average thickness of the Ca-P layer on Ti that was anodized at 5 V and 10 V was approximately 170 nm and 190 nm, respectively, after immersion in simulated body fluid for 14 days. - Highlights: • TiO{sub 2} nanotube on Ti surface was formed by anodic oxidation in a NaCl/NH{sub 4}F solution. • TiO{sub 2} layers show a tube length of 590 nm and 730 nm at 5 V and 10 V, respectively. • After soaking in SBF, Ca-P layer completely covered the entire nanotubular surfaces. • The Ca-P layer was thicker on the Ti surface anodized at 10 V.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Characterizing precipitate evolution of an Al–Zn–Mg–Cu-based commercial alloy during artificial aging and non-isothermal heat treatments by in situ electrical resistivity monitoring

In situ electrical resistivity monitoring technique was employed to continuously evaluate the precipitate evolution of an Al–Zn–Mg–Cu-based commercial alloy during typical artificial aging treatments. The effects of artificial aging on the precipitates stability during non-isothermal heat treatments were also explored. Conventional hardness test, transmission electron microscopy and differential scanning calorimetry were also adopted to verify the electrical resistivity results. The results indicated that both the precipitation process and its timely rate could be followed by the monitored electrical resistivity during artificial aging treatments. The electrical resistivity results gave overall information on continuous precipitation and dissolution processes, especially under high heating rates. Samples artificial aging heat treated at 120 °C for 24 h followed by aging at 150 °C for 24 h presented more stable state and coarser precipitates than the samples only artificial aging heat treated at 120 °C for 24 h or triple artificial aging heat treated at 120 °C/24 h + 195 °C/15 min + 120 °/24 h. While the incoherent η precipitates in the samples artificial aging heat treated at 120 °C for 24 h followed by aging at 150 °C for 24 h were more easiness to coarsening and dissolve during non-isothermal heat treatments as well. - Highlights: • In situ electrical resistivity monitoring technique was employed on an Al-Zn-Mg-Cu alloy. • The precipitate evolution during typical artificial aging treatments was studied. • The precipitate stability during non-isothermal heat treatments was explored. • The electrical resistivity wonderfully monitored continuous precipitation and dissolution. • The alloy submitted to a T7 treatment presents a more stable state during heating due to incoherent η precipitates.

36 MATERIALS SCIENCE↗

In-situ laser ultrasonic measurement of the hcp to bcc transformation in commercially pure titanium

Using a novel in-situ laser ultrasonic technique, the evolution of longitudinal velocity was used to measure the α − β transformation during cyclic heating and cooling in commercially pure titanium. In order to quantify the transformation kinetics, it is shown that changes in texture can not be ignored. This is particularly important in the case of titanium where significant grain growth occurs in the β-phase leading to the ultrasonic wave sampling a decreasing number of grains on each thermal treatment cycle. Electron backscatter diffraction measurements made postmortem in the region where the ultrasonic pulse traveled were used to obtain an estimate of such local texture and grain size changes. An analysis technique for including the anisotropy of wave velocity depending on local texture is presented and shown to give self consistent results for the transformation kinetics. - Highlights: • Laser ultrasound and EBSD interpret the hcp/bcc phase transformation in cp-Ti. • Grain growth and texture produced variation in velocity during similar treatments. • Texture was deconvoluted from phase addition to obtain transformation kinetics.

36 MATERIALS SCIENCE↗

Effect of laser power on oxygen and nitrogen concentration of commercially pure titanium manufactured by selective laser melting

Highlights: • The hardness and strength of pure titanium fabricated by SLM were increased with increasing the laser power. • During the SLM processing, the concentrations of oxygen and nitrogen in the SLM parts were increased. • The oxidation and nitriding were thermodynamically possible under SLM. - Abstract: This study analyzed the variation of mechanical properties and its causes with increasing the laser power in the fabrication of pure titanium by selective laser melting (SLM). SLM samples were fabricated using commercially pure titanium grade 1 powder when the scan speed was 1000 mm/s and the laser power as 120, 200, 280, 360, and 440 W, respectively. As the laser power increased, the hardness and strength of the samples increased gradually. During the SLM processing, the concentrations of oxygen and nitrogen in the SLM samples were increased, which resulted in the increase of hardness and strength. The SLM equipment used in this study removed oxygen in the chamber by flowing high purity argon gas and fabricates the sample while preserving the oxygen concentration in the atmosphere to 0.2%. Evaluating the possibility of oxidation and nitriding during the SLM process by thermodynamic analysis, it was found that the process occurred under conditions in which temperature and residual oxygen and nitrogen partial pressure led to oxidation and nitriding.

36 MATERIALS SCIENCE↗

Visible light activated photocatalytic behaviour of rare earth modified commercial TiO{sub 2}

Highlights: • RE gave more surface hydroxyl groups attached to the photocatalyst's surface. • RE gave the modified and fired samples a high specific surface area. • Photocatalytic activity was assessed in gas–solid phase under visible-light exposure. • Thermal treated RE-TiO{sub 2}s showed a superior visible-light photocatalytic activity. • La-TiO{sub 2} was the best performing photocatalyst. - Abstract: A commercial TiO{sub 2} nanopowder, Degussa P25, was modified with several rare earth (RE) elements in order to extend its photocatalytic activity into the visible range. The mixtures were prepared via solid-state reaction of the precursor oxides, and thermally treated at high temperature (900 and 1000 °C), with the aim of investigating the photocatalytic activity of the thermally treated samples. This thermal treatment was chosen for a prospective application as a surface layer in materials that need to be processed at high temperatures. The photocatalytic activity (PCA) of the samples was assessed in gas–solid phase – monitoring the degradation of isopropanol (IPA) – under visible-light irradiation. Results showed that the addition of the REs lanthanum, europium and yttrium to TiO{sub 2} greatly improved its photocatalytic activity, despite the thermal treatment, because of the presence of more surface hydroxyl groups attached to the photocatalyst's surface, together with a higher specific surface area (SSA) of the modified and thermally treated samples, with regard to the unmodified and thermally treated Degussa P25. The samples doped with La, Eu and Y all had excellent PCA under visible-light irradiation, even higher than the untreated Degussa P25 reference sample, despite their thermal treatment at 900 °C, with lanthanum producing the best results (i.e. the La-, Eu- and Y-TiO{sub 2} samples, thermally treated at 900 °C, had, respectively, a PCA equal to 26, 27 and 18 ppm h{sup −1} – in terms of acetone formation – versus 15 ppm h{sup −1} for the 900 °C thermally treated Degussa P25). On the other hand, Ce–TiO{sub 2}s had no significant photocatalytic activity.

36 MATERIALS SCIENCE↗