High dielectric constant (k) materials have been investigated to improve the performance of dynamic random access memory (DRAM) capacitors. However, the conventional binary oxides have reached their fundamental limit of k < 100. In this study, we investigated alternative ternary oxides, SrTiO3 (STO) and (Ba,Sr)TiO3 (BSTO), which were epitaxially grown on SrRuO3 (SRO) using atomic layer deposition (ALD). The structural compatibility between SRO and STO enables the in situ crystallization of STO during ALD at a low temperature of 300 °C. Consequently, STO on SRO exhibited no film deformation, a common issue during high temperature postdeposition annealing, and maintained superior crystallinity at a thin thickness down to 50 Å. Furthermore, the dielectric constant of STO can be adjusted by modulating its tunable ferroelectric and dielectric properties through Ba doping. BSTO, with a high dielectric constant (kmax:527) achieved at a Ba doping concentration of approximately 50%, displayed a low leakage current density (3.9 × 10-8 A cm-2 @ 1 V) and demonstrated excellent reliability of 1012 cycles in the metal-insulator-metal capacitors. This study proposes a promising alternative to satisfy the extreme EOT required for next-generation DRAM capacitors.

The remarkable stability, suitable thermomechanical characteristics, and acceptable electrical properties of donor-doped strontium titanates make them attractive materials for fuel electrodes, interconnects, and supports of solid oxide fuel and electrolysis cells (SOFC/SOEC). The present study addresses the impact of processing and thermochemical treatment conditions on the electrical conductivity of SrTiO3-derived ceramics with moderate acceptor-type substitution in a strontium sublattice. A-site-deficient Sr0.85La0.10TiO3-δ and cation-stoichiometric Sr0.85Pr0.15TiO3+δ ceramics with varying microstructures and levels of reduction have been prepared and characterized by XRD, SEM, TGA, and electrical conductivity measurements under reducing conditions. The analysis of the collected data suggested that the reduction process of dense donor-doped SrTiO3 ceramics is limited by sluggish oxygen diffusion in the crystal lattice even at temperatures as high as 1300 °C. A higher degree of reduction and higher electrical conductivity can be obtained for porous structures under similar thermochemical treatment conditions. Metallic-like conductivity in dense reduced Sr0.85La0.10TiO3-δ corresponds to the state quenched from the processing temperature and is proportional to the concentration of Ti3+ in the lattice. Due to poor oxygen diffusivity in the bulk, dense Sr0.85La0.10TiO3-δ ceramics remain redox inactive and maintain a high level of conductivity under reducing conditions at temperatures below 1000 °C. While the behavior and properties of dense reduced Sr0.85Pr0.15TiO3+δ ceramics with a large grain size (10-40 µm) were found to be similar, decreasing grain size down to 1-3 µm results in an increasing role of resistive grain boundaries which, regardless of the degree of reduction, determine the semiconducting behavior and lower total electrical conductivity of fine-grained Sr0.85Pr0.15TiO3+δ ceramics. Oxidized porous Sr0.85Pr0.15TiO3+δ ceramics exhibit faster kinetics of reduction compared to the Sr0.85La0.10TiO3-δ counterpart at temperatures below 1000 °C, whereas equilibration kinetics of porous Sr0.85La0.10TiO3-δ structures can be facilitated by reductive pre-treatments at elevated temperatures.

Semihydrogenation is a crucial industrial process. Noble metals such as Pd have been extensively studied in semihydrogenation reactions, owing to their unique catalytic activity toward hydrogen activation. However, the overhydrogenation of alkenes to alkanes often happens due to the rather strong adsorption of alkenes on Pd active phases. Herein, we demonstrate that the incorporation of Pd active phases as single-atom sites in perovskite lattices such as SrTiO3 can greatly alternate the electronic structure and coordination environment of Pd active phases to facilitate the desorption of alkenes rather than further hydrogenation. Furthermore, the incorporated Pd sites can be well stabilized without sintering by a strong host-guest interaction with SrTiO3 during the activation of H species in hydrogenation reactions. As a result, the Pd incorporated SrTiO3 (Pd-SrTiO3) exhibits an excellent time-independent selectivity (> 99.9 %) and robust durability for the photocatalytic semihydrogenation of phenylacetylene to styrene. This strategy based on incorporation of active phases in perovskite lattices will have broad implications in the development of high-performance photocatalysts for selective hydrogenation reactions.

We present a numerical investigation of self-diffusion on strontium titanate TiO2-terminated (001) surfaces via density functional theory. Our calculations first indicate that Ti has the highest diffusion barrier with approximately 2.20 eV, thus representing the rate-limiting step for surface self-diffusion. Furthermore, the higher energy barriers of O and Ti in comparison to O2and TiO2indicate electronic activity with the surface atoms. Under the consideration of equi-biaxial strain as it would be encountered in e.g. heteroepitaxial thin films, the diffusion barriers for surface self-diffusion decrease for both compressive and tensile strains between -6% and 2%. For larger strains, we observe plastic deformations. This possibility to lower the energy barrier paves the way for accelerated and possible new mechanisms of surface diffusion and reconstruction of strontium titanate structures in a wide range of applications.

The adsorption properties of CO2 on the SrTiO3(001) surface were investigated using ambient pressure X-ray photoelectron spectroscopy under elevated pressure and temperature conditions. On the Nb-doped TiO2-enriched (1 × 1) SrTiO3 surface, CO2 adsorption, i.e., the formation of CO3 surface species, occurs first at the oxygen lattice site under 10-6 mbar CO2 at room temperature. The interaction of CO2 molecules with oxygen vacancies begins when the CO2 pressure increases to 0.25 mbar. The adsorbed CO3 species on the Nb-doped SrTiO3 surface increases continuously as the pressure increases but starts to leave the surface as the surface temperature increases, which occurs at approximately 373 K on the defect-free surface. On the undoped TiO2-enriched (1 × 1) SrTiO3 surface, CO2 adsorption also occurs first at the lattice oxygen sites. Both the doped and undoped SrTiO3 surfaces exhibit an enhancement of the CO3 species with the presence of oxygen vacancies, thus indicating the important role of oxygen vacancies in CO2 dissociation. When OH species are removed from the undoped SrTiO3 surface, the CO3 species begin to form under 10-6 mbar at 573 K, thus indicating the critical role of OH in preventing CO2 adsorption. The observed CO2 adsorption properties of the various SrTiO3 surfaces provide valuable information for designing SrTiO3-based CO2 catalysts.

The fabrication of solid solutions represents a compelling approach to modulating the physicochemical properties of materials. In this study, we achieved the successful synthesis of solid solutions comprising SrTiO3 and SrTaO2N (denoted as (SrTiO3)1-x-(SrTaO2N)x, 0≤x≤1) using the magnesium powder-assisted nitridation method. The absorption edge of (SrTiO3)1-x-(SrTaO2N)x is tunable from 500 to 600 nm. The conduction band minimum (CBM) of (SrTiO3)1-x-(SrTaO2N)x comprises the Ti 3d orbitals and the Ta 5d orbitals, while the valence band maximum (VBM) consists of the O 2p and N 2p orbitals. The microstructure of the (SrTiO3)1-x-(SrTaO2N)x consists of small nanoparticles, exhibiting a larger specific surface area than the parent compounds of SrTiO3 and SrTaO2N. In the photocatalytic hydrogen evolution reaction (HER) with sacrificial reagents, the activity of solid solutions is notably superior to that of nitrogen-doped SrTiO3 and SrTaO2N. This superiority is mainly attributed to its broad light absorption range and high charge separation efficiency, which indicates its potential as a promising photocatalytic material. Moreover, the magnesium powder-assisted nitridation method exhibits obvious advantages for the synthesis of oxynitrides and bears instructional significance for the synthesis of other nitrogen-containing compounds and even sulfur-containing compounds.

Atomic-resolution scanning transmission electron microscopy combined with 2D Gaussian fitting enables the accurate and precise identification of atomic column positions within a few picometers. The measurement performance significantly depends on the signal-to-noise ratio of the atomic columns. In areas with low signal-to-noise ratios, such as near surfaces, the measurement performance was lower than that of the bulk. However, previous studies evaluated the accuracy and precision only in bulk areas, underscoring the need for a method that quantitatively evaluates the accuracy and precision of each atomic column position with various signal-to-noise ratios. This study introduced Bayesian inference to assess the accuracy and precision of determining individual atomic column positions under various signals. We applied this method to simulated and experimental images and demonstrated its effectiveness in identifying statistically significant displacements, particularly near surfaces with signal degradation. The use of vector maps and kernel density estimate plots obtained from Bayesian inference provided a probabilistic understanding of the atom displacement. Therefore, this study highlighted the potential benefits of Bayesian inference in high-resolution imaging to reveal material properties.

The performance of strontium titanate-based perovskite materials, widely employed as electrode materials for reversible solid oxide cells, is directly characterized by their efficiency and their ability to facilitate the diffusion of generated oxygen ions. A technique frequently employed for enhancing oxygen ion diffusivity involves artificially generating A-site vacancies in these structures. In this study, the molecular-level mechanism of oxygen ion diffusion for a range of A-site deficient structures is extensively investigated using combined molecular dynamics simulations and machine learning-based technique. The analysis of molecular simulation trajectories yields diffusion parameters for the bulk system. Additionally, clustering analysis of time-overlapped locations of oxygen ions provides a spatial distribution of oxygen ion dislocations. Concurrently, tracking the motion of individual oxygen ions elucidates the contribution of each ion to the overall ionic conductance. Overall, the systematic generation of A-site deficiency is found to significantly influence oxygen ion dislocations, thereby impacting the performance of these materials in terms of oxide ion conduction.

The optical properties of polyvinylidene fluoride (PVDF) polymer nanocomposite films incorporating SrTiO3/carbon nanotubes (CNTs) as nanofillers are investigated. PVDF/SrTiO3/CNTs films were prepared by the solution casting technique. X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM) analyses confirmed the incorporation of SrTiO3/CNTs into the PVDF matrix. The addition of nanofillers influenced the crystalline structure, morphology, and optical properties of the films. SEM images showed spherulite morphology, which is a spherical aggregate of crystalline polymer chains. The addition of a SrTiO3/CNTs nanofiller modified the polymer\'s electronic structure, causing a variation in the energy gap. The addition of SrTiO3/CNTs at 0.1 wt% increased the band gap, refractive index, and nonlinear optical properties of the PVDF films. These improvements indicate the potential of these nanocomposite films in optoelectronic applications such as solar cells, image sensors, and organic light-emitting diodes.

Layers of TiO2 nanotubes formed by the anodization process represent an area of active research in the context of innovative energy conversion and storage systems. Titanium nanotubes (TNTs) have attracted attention because of their unique properties, especially their high surface-to-volume ratio, which makes them a desirable material for various technological applications. The anodization method is widely used to produce TNTs because of its simplicity and relative cheapness; the method enables precise control over the thickness of TiO2 nanotubes. Anodization can also be used to create decorative and colored coatings on titanium nanotubes. In this study, a combined structure including anodic TiO2 nanotubes and SrTiO3 particles was fabricated using chemical synthesis techniques. TiO2 nanotubes were prepared by anodizing them in ethylene glycol containing NH4F and H2O while applying a voltage of 30 volts. An anode nanotube array heat-treated at 450 °C was then placed in an autoclave filled with dilute SrTiO3 solution. Scanning electron microscopy (SEM) analysis showed that the TNTs were characterized by clear and open tube ends, with an average outer diameter of 1.01 μm and an inner diameter of 69 nm, and their length is 133 nm. The results confirm the successful formation of a structure that can be potentially applied in a variety of applications, including hydrogen production by the photocatalytic decomposition of water under sunlight.