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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Nature of the ferromagnetic-antiferromagnetic transition in Y 1- x La x TiO 3

In this work, we explore the magnetically ordered ground state of the isovalently substituted Mott insulator Y 1- x La x TiO 3 for x≤ 0.3 via single-crystal growth, magnetometry, neutron diffraction, x-ray magnetic circular dichroism, muon spin rotation, and small-angle neutron scattering (SANS). We find that the decrease in the magnetic transition temperature on approaching the ferromagnetic-antiferromagnetic phase boundary at the La concentration xc ≈ 0.3 is accompanied by a strong suppression of both bulk and local ordered magnetic moments, along with a volume wise separation into magnetically ordered and paramagnetic regions. The thermal phase transition does not show conventional second-order behavior since neither a clear signature of dynamic critical behavior nor a power-law divergence of the magnetic correlation length is found for the studied substitution range; this finding becomes increasingly obvious with increasing La substitution. We find no evidence for a spin-glass phase. Finally, from SANS and magnetometry measurements, we discern a crossover from easy-axis to easy-plane magnetocrystalline anisotropy with increasing La substitution. These results indicate complex changes in magnetic structure upon approaching the phase boundary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Ferroelectricity and superconductivity in strained Eu x Sr 1 – x TiO 3 films

The superconducting transition of SrTiO 3 can be influenced by tuning its ferroelectric transition, but the underlying reasons remain poorly understood. Here, we investigate compressively strained, Sm-doped films of Eu x Sr 1-x TiO 3 that were grown by molecular beam epitaxy to determine the effect of alloying with Eu on both superconductivity and ferroelectricity, both of which are present in strained SrTiO 3 films. Remarkably, superconductivity survives up to x = 0.14. Films at the lowest alloy concentration studied here, x = 0.09, exhibit no suppression of their superconducting transition temperature, but a strong reduction of the upper critical field (H c2 ), compared to non-alloyed, strained SrTiO 3 films. In addition, these films lack the sharp ferroelectric transition that appears in films without Eu in second harmonic generation measurements. Here, we postulate that Eu-alloying causes a crossover from a globally ordered ferroelectric state to one with only short-range polar order. We discuss the connection between the loss of global polar order and the change in the superconducting properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Achieving giant electrostrain of above 1% in (Bi,Na)TiO 3 -based lead-free piezoelectrics via introducing oxygen-defect composition

Piezoelectric ceramics have been extensively used in actuators, where the magnitude of electrostrain is key indicator for large-stroke actuation applications. Here, we propose an innovative strategy based on defect chemistry to form a defect-engineered morphotropic phase boundary and achieve a giant strain of 1.12% in lead-free Bi 0.5 Na 0.5 TiO 3 (BNT)–based ceramics. The incorporation of the hypothetical perovskite BaAlO 2.5 with nominal oxygen defect into BNT will form strongly polarized directional defect dipoles, leading to a strong pinning effect after aging. The large asymmetrical strain is mainly attributed to two factors: The defect dipoles along crystallographic [001] direction destroy the long-range ordering of the ferroelectric and activate a reversible phase transition while promoting polarization rotation when the dipoles are aligned along the applied electric field. Our results not only demonstrate the potential application of BNT-based materials in low-frequency, large-stroke actuators but also provide a general methodology to achieve large strain.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High Quantum Yield Sensitization of Single Crystal TiO 2 Electrodes with CsPbBr 3 Nanocrystals

Lead halide perovskites are promising materials for solar cells and photodetectors. Nanocrystals of this family of perovskites also have distinct properties. In this study we report the attainment of high quantum yield sensitized photocurrents from stabilized CsPbBr 3 perovskite nanocrystals thermally evaporated onto doped single crystal rutile (110) TiO 2 electrodes. Sensitized photocurrent stabilization was achieved by capping the nanocrystals with a thin NiO x layer and a Au carrier transport and protection layers respectively as well as the judicious choice of solvent and electrolyte.

Materials Science↗
DOE OSTI2025

Supercontinuum generation in oxide and semiconductor materials (InP, Si, GaN, GaAs, PbMoO 4 , YVO 4 , ZGP, TiO 2 , diamond) pumped by radiation of the Cr:ZnS fs-MOPA system

Ultrashort light sources in the middle-infrared range are highly beneficial for applications such as gas molecular spectroscopy, remote sensing, atmospheric science, medical treatments, and light–matter interaction studies. Ultrafast lasers utilizing chromium-doped ZnS/Se (Cr:ZnS/Se) have proven to be robust and stable solutions within this spectral region. Nonlinear spectral broadening is fundamentally important, as it pushes the pulse duration limits imposed by the bandwidth of laser media. In this study, we demonstrate the spectral broadening and supercontinuum generation in several bulk materials, including InP, Si, GaN, GaAs, PbMoO 4 , YVO 4 , diamond, and TiO 2 , using pump radiation with up to 4 W average power centered at 2.35 µm from a Cr:ZnS femtosecond MOPA system. Some of the investigated materials have excellent potential as effective media for middle-infrared supercontinuum generation, demonstrating the feasibility of developing a single-cycle pulse middle-infrared laser system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Relaxor behavior and electrothermal properties of Sn- and Nb-modified (Ba,Ca)TiO 3 Pb-free ferroelectric

Relaxor ferroelectrics have drawn attention for possible applications in solid-state cooling and thermal energy harvesting, owing to their electrothermal energy conversion properties. Here, we have synthesized and characterized the structure–property correlations of a new Sn- and Nb-doped (Ba,Ca)TiO 3 relaxor ferroelectric with large pyroelectric and electrocaloric effects over a broad temperature range. We observed two peaks for the temperature-dependent pyroelectric coefficient: (i) -(∂P/∂T) ~ 563 µC/(m 2 K) at T~ 270 K and (ii) -(∂P/∂T) ~ 1021 µC/(m 2 K) at T~ 320 K. In addition, a broad peak for electrocaloric temperature change is observed near 320 K with a relative cooling power of ~17 J/kg. These properties could be correlated to structural changes observed using X-ray diffraction at two different temperature ranges in the material. Analysis of high-energy X-ray scattering and specific heat capacity data revealed a transition from the cubic to tetragonal phase near T m ~ 320 K, whereas an additional increase in the tetragonality (c/a) of the polar phase is observed below T s ~ 270 K.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Redox transistors based on TiO 2 for analogue neuromorphic computing

The ability to train deep neural networks on large data sets have made significant impacts onto artificial intelligence, but consume significant amounts of energy due to the need to move information from memory to logic units. In-memory "neuromorphic" computing presents an alternative framework that processes information directly on memory elements. In-memory computing has been limited by the poor performance of the analogue information storage element, often phase-change memory or memristors. To solve this problem, we developed two types of "redox transistors" using TiO 2 (anatase) which stores analogue information states through the electrochemical concentration of dopants in the crystal. The first type of redox transistor uses lithium as the electrochemical dopant ion, and its key advantage is low operating voltage. The second uses oxygen vacancies as the dopant, which is CMOS compatible and can retain state even when scaled to nanosized dimensions. Both devices offer significant advantages in terms of predictable analogue switching over conventional filamentary-based devices, and provide a significant advance in developing materials and devices for neuromorphic computing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Anisotropic Properties of Epitaxial Ferroelectric Lead-Free 0.5[Ba(Ti 0.8 Zr 0.2 )O 3 ]-0.5(Ba 0.7 Ca 0.3 )TiO 3 Films

As the energy demand is expected to double over the next 30 years, there has been a major initiative towards advancing the technology of both energy harvesting and storage for renewable energy. In this work, we explore a subset class of dielectrics for energy storage since ferroelectrics offer a unique combination of characteristics needed for energy storage devices. We investigate ferroelectric lead-free 0.5[Ba(Ti 0.8 Zr 0.2 )O 3 ]-0.5(Ba 0.7 Ca 0.3 )TiO 3 epitaxial thin films with different crystallographic orientations grown by pulsed laser deposition. We focus our attention on the influence of the crystallographic orientation on the microstructure, ferroelectric, and dielectric properties. Our results indicate an enhancement of the polarization and strong anisotropy in the dielectric response for the (001)-oriented film. The enhanced ferroelectric, energy storage, and dielectric properties of the (001)-oriented film is explained by the coexistence of orthorhombic-tetragonal phase, where the disordered local structure is in its free energy minimum.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spin-flop Phase in a Honeycomb Antiferromagnet Mn 0.84 Mg 0.16 TiO 3

The spin-flop phase of a honeycomb antiferromagnet of Mn 0.84 Mg 0.16 TiO 3 has been studied under magnetic field along normal direction to the honeycomb plane by neutron scattering. With increasing a magnetic field from 0 to 5 T, the inelastic scattering intensity increased by 1.5 times at (1 0 0), where the magnetic structure was found to be collinear-antiferromagnet with the spin parallel to [1 1 0] direction. The spin direction is consistent with a 1.5 times increase of the inelastic intensity. Furthermore, the negligible energy difference between K and K' points suggests small values for both Dzyaloshinskii–Moriya interaction and bond-dependent symmetric anisotropic exchange interaction in this material.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Photo–thermo Catalytic Oxidation over a TiO 2 -WO 3 -Supported Platinum Catalyst

Photo–thermo catalysis, which integrates photocatalysis on semiconductors with thermocatalysis on supported nonplasmonic metals, has emerged as an attractive approach to improve catalytic performance. However, an understanding of the mechanisms in operation is missing from both the thermo- and photocatalytic perspectives. Deep insights into photo–thermo catalysis are achieved via the catalytic oxidation of propane (C 3 H 8 ) over a Pt/TiO 2 -WO 3 catalyst that severely suffers from oxygen poisoning at high O 2 /C 3 H 8 ratios. After introducing UV/Vis light, the reaction temperature required to achieve 70 % conversion of C 3 H 8 lowers to a record-breaking 90 °C from 324 °C and the apparent activation energy drops from 130 kJ mol -1 to 11 kJ mol -1 . Furthermore, the reaction order of O 2 is -1.4 in dark but reverses to 0.1 under light, thereby suppressing oxygen poisoning of the Pt catalyst. An underlying mechanism is proposed based on direct evidence of the in-situ-captured reaction intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Photo–thermo Catalytic Oxidation over a TiO 2 ‐WO 3 ‐Supported Platinum Catalyst

Abstract Photo–thermo catalysis, which integrates photocatalysis on semiconductors with thermocatalysis on supported nonplasmonic metals, has emerged as an attractive approach to improve catalytic performance. However, an understanding of the mechanisms in operation is missing from both the thermo‐ and photocatalytic perspectives. Deep insights into photo–thermo catalysis are achieved via the catalytic oxidation of propane (C 3 H 8 ) over a Pt/TiO 2 ‐WO 3 catalyst that severely suffers from oxygen poisoning at high O 2 /C 3 H 8 ratios. After introducing UV/Vis light, the reaction temperature required to achieve 70 % conversion of C 3 H 8 lowers to a record‐breaking 90 °C from 324 °C and the apparent activation energy drops from 130 kJ mol −1 to 11 kJ mol −1 . Furthermore, the reaction order of O 2 is −1.4 in dark but reverses to 0.1 under light, thereby suppressing oxygen poisoning of the Pt catalyst. An underlying mechanism is proposed based on direct evidence of the in‐situ‐captured reaction intermediates.

Kang, Leilei↗
DOE OSTI2022

Synergistic degradation performance of UV / TiO 2 photocatalysis and biotrickling filtration inoculated with Aspergillus sp. S1 for gaseous m ‐xylene

Abstract Background Biotricking filtration (BTF) based on absorption and biodegradation of waste gas by microorganisms in a biofilm can be used to degrade with difficulty hydrophobic volatile pollutants. Photocatalysis is a promising technology for the abatement of gaseous contaminants because of its nonselective oxidation of volatile organic compounds; however, photocatalysis technology has the limitations of high energy consumption and low mineralization efficiency. This study, therefore, aimed to investigate the synergistic effects of UV/TiO 2 photocatalysis (PCO) pretreatment and BTF in treating gaseous m ‐xylene. Results BTF incubated with a mold, Aspergillus sp. S1, was acclimated with m ‐xylene as the sole carbon source. A combined system of PCO with BTF was developed to remove gaseous m ‐xylene. The results showed that the startup period was shortened by 3 days in the PCO‐BTF combined system compared to that with BTF alone. The removal efficiency reached 73% and 91% for the BTF and PCO‐BTF systems respectively when the empty bed residence time was extended to 90 s. In addition, PCO‐BTF could withstand transient shock loading of m ‐xylene of 5000 mg m −3 and gradually restore its decontamination performance. Conclusions PCO pretreatment was effective in the enhancement of the removal capacity of BTF for m ‐xylene. The PCO‐BTF system proposed in this study provides an attractive alternative to abate hydrophobic volatile pollutants. The integration of PCO essentially prompted the capability of Aspergillus sp. S1 in the BTF unit, which paves the way for the treatment of gaseous waste at an industrial scale. © 2022 Society of Chemical Industry (SCI).

Du, Qingping↗
DOE OSTI2022

High Strain Response and Dielectric Properties of Bi 1/2 (Na 0.78 K 0.22 ) 1/2 TiO 3 Ceramics Doped with (Fe 1/2 Nb 1/2 ) 4+

Environmentally friendly piezoceramics Bi 1/2 (Na 0.78 K 0.22 ) 1/2 Ti 1-x (Fe 1/2 Nb 1/2 ) x O 3 (BNKT-FN) with FeNb (FN) ratios 0, 0.01, 0.02, 0.03 and 0.04 were synthesized via conventional solid-state reaction (CSSR). X-ray diffraction (XRD) analysis revealed that the FN complexes were completely dissolved in BNKT perovskite and the structural transition occurred from ferroelectric to relaxor state. The average grain sizes for x = 0, 0.01, 0.02, 0.03 and 0.04 were found to be 0.34 μm, 0.35 μm, 0.38 μm, 0.32 μm and 0.39 μm, respectively. It is observed that the grain size increased with the addition of FN, except for x = 0.03. Here, the coercive field (E c ) and remnant polarization (P r ) of the system were decreased with increasing FN concentration and the highest E c of 21.1 kV/cm and P r of 29.2 μC/cm 2 were noted for the base pure sample. In addition, the increase of FN content steadily broadened the dielectric anomaly at maximum dielectric constant temperature (T m ) in the BNKT-FN system. Consequently, unipolar normalized strain (S max /E max ) was found to be enhanced monotonically achieving the highest value of around 654 pm/V (x = 0.02). These properties suggest that the investigated system could be a promising eco-friendly candidate for piezoelectric actuators and many other applications requiring high piezoelectric induced strain.

25 ENERGY STORAGE↗
DOE OSTI2021

Colloidal immobilized protein based on stable colloid of TiO 2 nanoparticles at neutral pH for protein microarray

A stable colloid of titanium dioxide nanoparticles was specially prepared at neutral pH so that horse radish peroxidase as a model protein can interact and be immobilized with colloidal titanium dioxide nanoparticles, while usually titanium dioxide colloid is only stable at acidic condition. Colloidal immobilized peroxidase based on titanium dioxide nanoparticles at neutral pH were highly active and stably dispersible in aqueous solution. The resulting colloidal immobilized peroxidase can be readily printed using a standard microarray printer for facile fabrication of protein microarrays. After printing, the colloidal immobilized protein formed uniform membrane of proteinated nanoparticles with 3-dimensional nanoconfiguration. Finally, the protein microarray sensitivity based on peroxidase-titanium dioxide nanoparticles was nearly 20 times as high as that using conventional technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Structural investigation of the temperature-stable relaxor dielectric Ba 0.8 Ca 0.2 TiO 3 -Bi(Mg 0.5 Ti 0.5 )O 3

Aberration corrected scanning transmission electron microscopy (STEM) and electron diffraction have been used to disclose local structure and nano-chemistry in a Ca modified BaTiO 3 -Bi(Mg 0.5 Ti 0.5 )O 3 relax or dielectric ceramic which exhibits high and near-invariant relative permittivity over a wide temperature range. High resolution, synchrotron X-ray diffraction indicated a globally cubic structure ($Pm$$\overline{3}$$m$), but direct atomic-scale imaging by STEM revealed local tetragonal distortions. Nanopolar clusters were identified from B-site atomic displacement vectors measured relative to oxygen ion positions along < 100 > and < 110 > zone axes of integrated differential phase contrast (iDPC) STEM images, highlighting cluster sizes of 2–5 nm. Chemical analysis by STEM-energy dispersive X-ray spectroscopy and full pattern refinements of X-ray powder diffraction data each implied high levels of Bi vacancies within the matrix. The possibility that these A-site vacancies modulate the nanopolar structure and promote flattening of the permittivity-temperature response in this class of dielectric is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synchrotron X-ray diffraction of pyrolusite (MnO 2 ) and rutile (TiO 2 ) during heating to ~1000 °C

To compare thermal expansion behaviors in isomorphic structures with different redox behaviors, we separately heated pyrolusite (Mn 4+ O 2 ) and rutile (Ti 4+ O 2 ) powders from 25 to ~1000 °C at a rate of 0.05 °C/s at ambient pressure and analyzed them using synchrotron X-ray diffraction and Rietveld refinement. The pyrolusite exhibited two reduction-induced phase decompositions. Between 531 and 583 °C, pyrolusite decomposed to bixbyite (Mn 3+ 2 O 3 ), and between 972 and 998 °C, bixbyite decomposed to hausmannite (Mn 2+ Mn 3+ 2 O 4 ). The rutile experienced no phase decompositions or transitions over this same temperature interval. The refined bond lengths and angles for pyrolusite showed that the Mn 4+ coordination octahedron became more distorted near the phase decomposition to bixbyite due to the approach of two coordinating oxygen atoms. The 3d electrons of each Mn 4+ ion in pyrolusite make π bonds with the 2p electrons of the surrounding O 2- ions, whereas the Ti 4+ of rutile has no 3d electrons. Thus, π bonding between octahedral Mn 4+ and the surrounding O 2- anions increases the strength of the Mn–O bonds of pyrolusite relative to the Ti–O bonds of rutile. However, we observed a small decrease in O–O distances in pyrolusite before the decomposition, suggesting that at high temperature, increased π bonding between adjacent O anions precedes the release of O 2 and the reduction of Mn 4+ to Mn 3+ . Analogous behavior was observed for bixbyite before its reductive phase decomposition to hausmannite. In contrast, no anomalous changes in the O–O distances occurred for rutile. Our X-ray diffraction analyses provided accurate thermal expansion coefficients for these materials over a broader temperature range than reported in previous studies. The Mn–O bond lengths in pyrolusite were shorter and stronger than the Ti–O bonds of rutile; for example, at 60 °C, bond distances in pyrolusite refined to 1.8854(6) Å whereas the bond lengths of rutile were 1.9575(4) Å. Accordingly, the axial and volumetric thermal expansion coefficients refined for rutile were greater than those for pyrolusite. Further, the axial coefficients of thermal expansion (CTE) for pyrolusite were 96% (a-axis) and 69% (c-axis) of the corresponding values for rutile, and the volumetric CTE for pyrolusite was 85% of that for rutile.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗