Efficient nitrite determination by electrochemical approach in liquid phase with ultrasonically prepared gold-nanoparticle-conjugated conducting polymer nanocomposites.

An electrochemical nitrite sensor probe is introduced herein using a modified flat glassy carbon electrode (GCE) and SrTiO3 material doped with spherical-shaped gold nanoparticles (Au-NPs) and polypyrrole carbon (PPyC) at a pH of 7.0 in a phosphate buffer solution. The nanocomposites (NCs) containing Au-NPs, PPyC, and SrTiO3 were synthesized by ultrasonication, and their properties were thoroughly characterized through structural, elemental, optical, and morphological analyses with various conventional spectroscopic methods, such as field-emission scanning electron microscopy, energy-dispersive X-ray spectroscopy, high-resolution transmission electron microscopy, powder X-ray diffraction, X-ray photoelectron spectroscopy, and Brunauer-Emmett-Teller method. The peak currents due to nitrite oxidation were characterized in detail and analyzed using conventional cyclic voltammetry (CV) as well as differential pulse voltammetry (DPV) under ambient conditions. The sensor response increased significantly from 0.15 to 1.5 mM of nitrite ions, and the sensor was fabricated by coating a conducting agent (PEDOT:PSS) on the GCE to obtain the Au-NPs/PPyC/SrTiO3 NCs/PEDOT:PSS/GCE probe. The sensor's sensitivity was determined as 0.5 µA/µM∙cm2 from the ratio of the slope of the linear detection range by considering the active surface area (0.0316 cm2) of the flat GCE. In addition, the limit of detection was determined as 20.00 ± 1.00 µM, which was found to be satisfactory. The sensor's stability, pH optimization, and reliability were also evaluated in these analyses. Overall, the sensor results were found to be satisfactory. Real environmental samples were then analyzed to evaluate the sensor's reliability through DPV, and the results showed that the proposed novel electrochemical sensor holds great promise for mitigating water contamination in the real samples with the lab-made Au-NPs/PPyC/SrTiO3 NC. Thus, this study provides valuable insights for improving sensors for broad environmental monitoring applications using the electrochemical approach.

Bi-functional NiFe2O4/SrTiO3 S-scheme heterojunction for eminent performance photocatalytic treatment of sewage effluent and electrochemical hydrazine determination.

Devising of materials that afforded dual applicability in decontamination and pollutant detection were still a towering challenge owing to the increasing flux of discharge toxic contaminants over the years. Herein, the NiFe2O4 nanoparticles-loaded on cube-like SrTiO3 (NiFe2O4/SrTiO3) composite was fabricated by a two-step hydrothermal approach providing remarkable photocatalytic treatment and electrochemical sensing of noxious pollutants in wastewater. The material traits of the fabricated composite were scrutinized by myriad characterization approaches. The NiFe2O4/SrTiO3 hybrid material demonstrated high surface area of 19.81 m2/g, adequate band gap energy of 2.75 eV, and prominent photoluminescence characteristics. In the presence of visible light, the NiFe2O4/SrTiO3 exhibited profound photocatalysis capability to eliminate sewage effluent-bearing chlortetracycline hydrochloride (CTCH) with 88.6% COD removal in 120 min, outperforming other pure materials. Meanwhile, the toxicity examination of effluent, the possible degradation pathway of CTCH and the proposed photocatalysis mechanism were also divulged. More importantly, the glassy carbon electrode was modified with synergized NiFe2O4/SrTiO3 (NiFe2O4/SrTiO3-GCE) was adopted for the precise quantification of Hydrazine (Hz). The NiFe2O4/SrTiO3-GCE obeyed first-order response for the Hz detection within the range of 1-10 mM: cyclic voltametric: limit of detection (LOD) of 0.119 µM with sensitivity of 18.9 µA µM-1 cm-2, and linear sweep voltametric: LOD of 0.222 µM with a sensitivity of 12.05 µA µM-1 cm-2. The stability and interference of modified electrode were also inspected. This work furnished valuable insights to yield a composite with the prominent S-scheme heterojunction system for quenching of charge carrier recombination and consequently contributing to the future realization into the domains of environmental clean-up and toxic chemical detection.

Impact of Thermochemical Treatments on Electrical Conductivity of Donor-Doped Strontium Titanate Sr(Ln)TiO3 Ceramics.

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.

Decolorization of RhB on three-dimensional porous CeO2/LaFeO3/SrTiO3 catalyst via photo-fenton-like catalysis.

The catalysts with three-dimensional porous (3DP) CeO2, LaFeO3 and SrTiO3 are synthesized by sol-gel method and chemical precipitation method. The resulting multi-component 3DP CeO2/LaFeO3/SrTiO3 composite material featured a high specific surface area (26.08 m2/g), which can provide more surface active sites to improve adsorption capacity and catalytic performance. The photocatalytic, Fenton-like, photo-Fenton-like performance of the catalyst are studied on decolorization of RhB under UV irradiation, respectively. 3DP CeO2/LaFeO3/SrTiO3 exhibits high catalytic performance. Compared with photocatalytic or Fenton-like performance, 3DP CeO2/LaFeO3/SrTiO3 catalyst exhibits higher photo-Fenton-like performance, facilitating efficient decolorization of the rhodamine B. Moreover, the initial reaction rate on decolorization of RhB with 3DP CeO2/LaFeO3/SrTiO3 is 10.55, 5.52, 3.67 and 1.51 times higher than that with SrTiO3, LaFeO3, 3DP CeO2 and 3DP CeO2/LaFeO3, respectively. Meanwhile, 3DP LaFeO3/CeO2/SrTiO3 has a wider pH usage range in the synergistic reaction. Finally, a catalytic mechanism for the decolorization of rhodamine B is proposed. The continuous cycling of Fe3+/Fe2+ and Ce4+/Ce3+ and the production of active substances are achieved under the photo-Fenton-like effect of the catalyst.

Strain-induced enhancement of surface self-diffusion on strontium titanate (001) surfaces.

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.

Fabrication of SrTiO3 anchored rGO/g-C3N4 photocatalyst for the removal of mixed dye from wastewater: dual photocatalytic mechanism.

A metal-free combination of rGO/g-C3N4-coupled SrTiO3 (SRN) ternary nanocomposite prepared via a wet impregnation method for UV-Vis light photocatalytic applications. Various physicochemical properties of the samples were investigated by several spectroscopic techniques including X-ray diffraction (XRD), FT-IR, Raman, field emission scanning electron microscopy with energy dispersive X-ray spectroscopy (FE-SEM-EDX), high-resolution transmission electron microscopy (HR-TEM), UV-Vis, photoluminescence (PL), X-ray photoelectron spectroscopy (XPS) and Brunauer-Emmett-Teller (BET) surface area analysis. The data suggest agglomerated SRT nanoparticles are dispersed and distributed throughout the surface of the rGO sheets and GCN nanostructures. The photocatalytic performance of the SRN towards combined mixed dye and its degradation activities were evaluated towards the most common industrial effluents, Rhodamine B (RhB) and Methylene blue (MB), under UV-Vis light illumination. The results revealed that the degradation efficiency of the SRN photocatalyst shows excellent performance compared with that of the binary composition and the pure SrTiO3 (SRT) sample. The reaction rate constant for RhB was estimated to be 0.0039 min-1 and for MB to be 0.0316 min-1, which are 3.26 (RhB) and 4.21 (MB) times faster than the pure SRT sample. The enhanced degradation efficiency was attained not only by interfacial formation but also by the speedy transportation of electrons across the heterojunction. After 5 runs of the photocatalytic recylic process, the SRN photocatalyst exhibited ultimate stability without structural changes, and no noticeable degradation was observed. The outcomes of the ternary SRN nanocomposite manifest a dual photocatalytic scheme, the photocatalytic enrichment could be caused by the Z-scheme charge transfer process between GCN, SRT, and rGO nanocomposite, which helps effectual charge separation and keeps a high redox potential. From the results, SRN sample provides insight into the integration of an effective and potential photocatalyst for wastewater treatment toward real-time environmental remediation applications.

Incorporation of Pd Single-atom Sites in Perovskite with an Excellent Selectivity toward Photocatalytic Semihydrogenation of Alkynes.

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.

Study of CO2 Adsorption Properties on the SrTiO3(001) Surface with Ambient Pressure XPS.

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.

Engineered Electron-Deficient Sites at Boron-Doped Strontium Titanate/Electrolyte Interfaces Accelerate the Electrocatalytic Reduction of N2 to NH3: A Combined DFT and Experimental Electrocatalysis Study.

The development of an efficient, selective, and durable catalysis system for the electrocatalytic N2 reduction reaction (ENRR) is a promising strategy for the sustainable production of ammonia. The high-performance ENRR is limited by two major challenges: poor adsorption of N2 over the catalyst surface and abysmal N2 solubility in aqueous electrolytes. Herein, with the help of our combined density functional theory (DFT) calculations and experimental electrocatalysis study, we demonstrate that concurrently induced electron-deficient Lewis acid sites in an electrocatalyst and in an electrolyte medium can significantly boost the ENRR performance. The DFT calculations, ex situ X-ray photoelectron and FTIR spectroscopy, electrochemical measurements, and N2-TPD (temperature-programmed desorption) over boron-doped strontium titanate (BSTO) samples reveal that the Lewis acid-base interactions of N2 synergistically enhance the adsorption and activation of N2. Besides, the B-dopant induces the defect sites (oxygen vacancies and Ti3+) that assist in enhanced N2 adsorption and results in suppressed hydrogen evolution due to B-induced electron-deficient sites for H+ adsorption. The insights from the DFT study evince that B prefers the Srtop position (on top of Sr) where N2 adsorbs in an end-on configuration, which favors the associative alternating pathway and suppresses the competitive hydrogen evolution. Thus, our combined experimental and DFT study demonstrates an insight toward enhancing the ENRR performance along with the suppressed hydrogen evolution via concurrently engineered electron-deficient sites at electrode and electrolyte interfaces.

Unidirectional Charge Orders Induced by Oxygen Vacancies on SrTiO3(001).

The discovery of high-mobility two-dimensional electron gas and low carrier density superconductivity in multiple SrTiO3-based heterostructures has stimulated intense interest in the surface properties of SrTiO3. The recent discovery of high-Tc superconductivity in the monolayer FeSe/SrTiO3 led to the upsurge and underscored the atomic precision probe of the surface structure. By performing atomically resolved cryogenic scanning tunneling microscopy/spectroscopy characterization on dual-TiO2-δ-terminated SrTiO3(001) surfaces with (√13 × âˆš13), c(4 × 2), mixed (2 × 1), and (2 × 2) reconstructions, we disclosed universally broken rotational symmetry and contrasting bias- and temperature-dependent electronic states for apical and equatorial oxygen sites. With the sequentially evolved surface reconstructions and simultaneously increasing equatorial oxygen vacancies, the surface anisotropy reduces and the work function lowers. Intriguingly, unidirectional stripe orders appear on the c(4 × 2) surface, whereas local (4 × 4) order emerges and eventually forms long-range unidirectional c(4 × 4) charge order on the (2 × 2) surface. This work reveals robust unidirectional charge orders induced by oxygen vacancies due to strong and delicate electronic-lattice interaction under broken rotational symmetry, providing insights into understanding the complex behaviors in perovskite oxide-based heterostructures.

Atomic-Site-Dependent Pairing Gap in Monolayer FeSe/SrTiO3(001)-(√13 × âˆš13).

The interfacial FeSe/TiO2-δ coupling induces high-temperature superconductivity in monolayer FeSe films. Using cryogenic atomically resolved scanning tunneling microscopy/spectroscopy, we obtained atomic-site dependent surface density of states, work function, and the pairing gap in the monolayer FeSe on the SrTiO3(001)-(√13 × âˆš13)-R33.7° surface. Our results disclosed the out-of-plane Se-Fe-Se triple layer gradient variation, switched DOS for Fe sites on and off TiO5□, and inequivalent Fe sublattices, which gives global spatial modulation of pairing gap contaminants with the (√13 × âˆš13) pattern. Moreover, the coherent lattice coupling induces strong inversion asymmetry and in-plane anisotropy in the monolayer FeSe, which is demonstrated to correlate with the particle-hole asymmetry in coherence peaks. These results disclose delicate atomic-scale correlations between pairing and lattice-electronic coupling in the Bardeen-Cooper-Schrieffer to Bose-Einstein condensation crossover regime, providing insights into understanding the pairing mechanism of multiorbital superconductivity.

SrTiO3 Nanotube-Based "Pneumatic Nanocannon" for On-Demand Delivery of Antibacterial and Sustained Osseointegration Enhancement.

Infection and aseptic loosening caused by bacteria and poor osseointegration remain serious challenges for orthopedic implants. The advanced surface modification of implants is an effective strategy for addressing these challenges. This study presents a "pneumatic nanocannon" coating for titanium orthopedic implants to achieve on-demand release of antibacterial and sustained release of osteogenic agents. SrTiO3 nanotubes (SrNT) were constructed on the surface of Ti implants as "cannon barrel," the "cannonball" (antibiotic) and "propellant" (NH4HCO3) were codeposited into SrNT with assistance of mussel-inspired copolymerization of dopamine and subsequently sealed by a layer of polydopamine. The encapsulated NH4HCO3 within the nanotubes could be thermally decomposed into gases under near-infrared irradiation, propelling the on-demand delivery of antibiotics. This coating demonstrated significant efficacy in eliminating typical pathogenic bacteria both in planktonic and biofilm forms. Additionally, this coating exhibited a continuous release of strontium ions, which significantly enhanced the osteogenic differentiation of preosteoblasts. In an implant-associated infection rat model, this coating demonstrated substantial antibacterial efficiency (>99%) and significant promotion of osseointegration, along with alleviated postoperative inflammation. This pneumatic nanocannon coating presents a promising approach to achieving on-demand infection inhibition and sustained osseointegration enhancement for titanium orthopedic implants.

Ordering Bimetallic Cu-Pd Catalysts onto Orderly Mesoporous SrTiO3-Crystal Nanotubular Networks for Efficient Carbon Dioxide Photoreduction.

Artificial photosynthesis of fuels has garnered significant attention, with SrTiO3 emerging as a potential candidate for photocatalysis due to its exceptional physicochemical properties. However, selectively converting CO2 into fuels with desired reaction products remains a grand challenge. Herein, we design an updated method via an aging strategy based on the electrospinning technique to synthesize a single-crystalline Al-doped SrTiO3 nanotubular networks with self-assembled orderly mesopores, further modified by Cu-Pd alloy. It exhibits both high crystallinity and superior cross-linked mesoporous structures, effectively facilitating charge carrier transfer, photon utilization, and mass transfer, with a remarkable enhancement from 0.025 mmol h-1 m-2 to 1.090 mmol h-1 m-2 in the CO production rate. Meanwhile, the ordered arrangement of Cu and Pd atoms on the (111) surface can promote the rate-determining step (*CO2 to *COOH), which is also responsible for its good activity. The presence of CuO in the reaction confers a significant advantage for CO desorption, leading to a remarkable CO selectivity of 95.54 %. This work highlights new insights into developing advanced heterogeneous photocatalysts.

Elastic Properties of Low-Dimensional Single-Crystalline Dielectric Oxides through Controlled Large-Area Wrinkle Generation.

Freestanding single-crystalline SrTiO3 membranes, as high-κ dielectrics, hold significant promise as the gate dielectric in two-dimensional (2D) flexible electronics. Nevertheless, the mechanical properties of the SrTiO3 membranes, such as elasticity, remain a critical piece of the puzzle to adequately address the viability of their applications in flexible devices. Here, we report statistical analysis on plane-strain effective Young's modulus of large-area SrTiO3 membranes (5 × 5 mm2) over a series of thicknesses (from 6.5 to 32.2 nm), taking advantage of a highly efficient buckling-based method, which reveals its evident thickness-dependent behavior ranging from 46.01 to 227.17 GPa. Based on microscopic and theoretical results, we elucidate these thickness-dependent behaviors and statistical data deviation with a bilayer model, which consists of a surface layer and a bulk-like layer. The analytical results show that the ∼3.1 nm surface layer has a significant elastic softening compared to the bulk-like layer, while the extracted modulus of the bulk-like layer shows a variation of ∼40 GPa. This variation is considered as a combined contribution from oxygen deficiency presenting in SrTiO3 membranes, and the alignment between applied strain and the crystal orientation. Upon comparison of the extracted elastic properties and electrostatic control capability to those of other typical gate dielectrics, the superior performance of single-crystalline SrTiO3 membranes has been revealed in the context of flexible gate dielectrics, indicating the significant potential of their application in high-performance flexible 2D electronics.

Bayesian inference of atomic column positions in scanning transmission electron microscopy images.

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.

Stabilizing High-Voltage Performance of Nickel-Rich Cathodes via Facile Solvothermally Synthesized Niobium-Doped Strontium Titanate.

Ni-rich layered ternary cathodes are promising candidates thanks to their low toxic Co-content and high energy density (∼800 Wh/kg). However, a critical challenge in developing Ni-rich cathodes is to improve cyclic stability, especially under high voltage (>4.3 V), which directly affects the performance and lifespan of the battery. In this study, niobium-doped strontium titanate (Nb-STO) is successfully synthesized via a facile solvothermal method and used as a surface modification layer onto the LiNi0.8Co0.1Mn0.1O2 (NCM811) cathode. The results exhibited that the Nb-STO modification significantly improved the cycling stability of the cathode material even under high-voltage (4.5 V) operational conditions. In particular, the best sample in our work could provide a high discharge capacity of ∼190 mAh/g after 100 cycles under 1 C with capacity retention over 84% in the voltage range of 3.0-4.5 V, superior to the pristine NCM811 (∼61%) and pure STO modified STO-811-600 (∼76%) samples under the same conditions. The improved electrochemical performance and stability of NCM811 under high voltage should be attributed to not only preventing the dissolution of the transition metals, further reducing the electrolyte's degradation by the end of charge, but also alleviating the internal resistance growth from uncontrollable cathode-electrolyte interface (CEI) evolution. These findings suggest that the as-synthesized STO with an optimized Nb-doping ratio could be a promising candidate for stabilizing Ni-rich cathode materials to facilitate the widespread commercialization of Ni-rich cathodes in modern LIBs.

Structural, Optical, and Thermal Properties of PVA/SrTiO3/CNT Polymer Nanocomposites.

Successful preparation of PVA/SrTiO3/CNT polymer nanocomposite films was accomplished via the solution casting method. The structural, optical, and thermal properties of the films were tested by XRD, SEM, FTIR, TGA, and UV-visible spectroscopy. Inclusion of the SrTiO3/CNT nanofillers with a maximum of 1 wt% drastically improved the optical and thermal properties of PVA films. SrTiO3 has a cubic crystal structure, and its average crystal size was found to be 28.75 nm. SEM images showed uniform distribution in the sample with 0.3 wt% of SrTiO3/CNTs in the PVA film, while some agglomerations appeared in the samples of higher SrTiO3/CNT content, i.e., at 0.7 and 1.0 wt%, in the PVA polymer films. The inclusion of SrTiO3/CNTs improved the thermal stability of PVA polymer films. The direct and indirect optical band gaps of the PVA films decreased when increasing the mass of the SrTiO3/CNTs, while the single-oscillator energy (E0) and dispersion energy (Ed) increased. The films' refractive indices were gradually increased upon increasing the nanofillers' weight. In addition, improvements in the optical susceptibility and nonlinear refractive indices' values were also obtained. These films are qualified for optoelectronic applications due to their distinct optical and thermal properties.

Pore walls as high-way for efficient bulk charge transfer in porous SrTiO3 single crystals boosting photocatalytic overall water splitting.

Suppressing carrier recombination in bulk and facilitating carrier transfer to surface via rational structure design is of great significance to improve solar-to-H2 conversion efficiency. We demonstrate a facile hydrothermal method to synthesize porous SrTiO3 single crystals (SrTiO3-P) with exposed (001) facets by introducing carbon spheres as templates. The obviously increased surface photovoltage and photocurrent response indicate that the interconnected pore walls act as enormous charge transfer "highways", accelerating carrier transport from bulk to surface. Furthermore, the absence of grain boundaries and high crystallinity could also lower the carrier recombination rate. Thus, the SrTiO3-P photocatalyst loaded with Rh/Cr2O3 as cocatalyst exhibits 1.5 times higher overall water splitting activity than that of solid SrTiO3, with gas evolution rate of 19.99 µmol h-1 50 mg-1 for H2 and 11.37 µmol h-1 50 mg-1 for O2. Additionally, SrTiO3-P also shows superior stability without any decay during cycling testing. This work provides a new insight into designing efficient multicomponent photocatalysts with a single-crystal porous structure.

Visible-Light Harvesting SrTiO3 Solid Solutions for Photocatalytic Hydrogen Evolution from Water.

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.

A Theoretical Study of Oxygen Anion Diffusion through the A-Site Deficient SrTiO3 Lattice Structure: A Machine Learning Approach.

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.