Search Results (52)

The synthesis of ethylamine-based perovskites has emerged to attempt to replace the lead in lead-based perovskites for the alkaline earth elements barium and strontium, introducing chloride halide to prepare the perovskites in solar cell technology. X-ray diffraction studies were conducted, and EXPO2014 software was utilized to resolve the structure. Chemical characterization was performed using Fourier transform infrared spectroscopy, photophysical properties were analyzed through ultraviolet–visible spectroscopy, and photoluminescence properties were determined to confirm the perovskite characteristics. The software employed can determine new crystal structures, as follows: orthorhombic for barium perovskite CH₃CH₂NH₃BaCl₃ and tetragonal for strontium perovskite CH₃CH₂NH₃SrCl₃. The ultraviolet–visible spectroscopy data demonstrated that a temperature increase (90–110 °C) contributed to reducing the band gap from 3.93 eV to 3.67 eV for barium perovskite and from 4.05 eV to 3.84 eV for strontium perovskite. The results exhibited that new materials can be obtained through gentle chemistry and specialized software like EXPO2014, both of which are capable of conducting reciprocal and direct space analyses for identifying crystal structures using powder X-ray diffraction. Full article

Amidst the swift expansion of the electric vehicle industry, the imperative for alternative battery technologies that balance economic feasibility with sustainability has reached unprecedented importance. Herein, we utilized Perovskite-based oxide compounds barium titanate (BaTiO₃) and strontium titanate (SrTiO₃) nanoparticles as anode materials for lithium-ion batteries from straightforward and standard carbonate-based electrolyte with 10% fluoroethylene carbonate (FEC) additive [1M LiPF₆ (1:1 EC: DEC) + 10% FEC]. SrTiO₃ and BaTiO₃ electrodes can deliver a high specific capacity of 80 mA h g⁻¹ at a safe and low average working potential of ≈0.6 V vs. Li/Li⁺ with excellent high-rate performance with specific capacity of ~90 mA h g⁻¹ at low current density of 20 mA g⁻¹ and specific capacity of ~80 mA h g⁻¹ for over 500 cycles at high current density of 100 mA g⁻¹. Our findings pave the way for the direct utilization of perovskite-type materials as anode materials in Li-ion batteries due to their promising potential for Li⁺ ion storage. This investigation addresses the escalating market demands in a sustainable manner and opens avenues for the investigation of diverse perovskite oxides as advanced anodes for next-generation metal-ion batteries. Full article

Proton-conducting ceramic materials have emerged as effective candidates for improving the performance of solid oxide cells (SOCs) and electrolyzers (SOEs) at intermediate temperatures. BaCeO₃ and BaZrO₃ perovskites doped with rare-earth elements such as Y₂O₃ (BCZY) are well known for their high proton conductivity, low operating temperature, and chemical stability, which lead to SOCs’ improved performance. However, the high sintering temperature and extended processing time needed to obtain dense BCZY-type electrolytes (typically > 1350 °C) to be used as SOC electrolytes can cause severe barium evaporation, altering the stoichiometry of the system and consequently reducing the performance of the final device. The cold sintering process (CSP) is a novel sintering technique that allows a drastic reduction in the sintering temperature needed to obtain dense ceramics. Using the CSP, materials can be sintered in a short time using an appropriate amount of a liquid phase at temperatures < 300 °C under a few hundred MPa of uniaxial pressure. For these reasons, cold sintering is considered one of the most promising ways to obtain ceramic proton conductors in mild conditions. This review aims to collect novel insights into the application of the CSP with a focus on BCZY-type materials, highlighting the opportunities and challenges and giving a vision of future trends and perspectives. Full article

Ceramic proton conductors have the potential to lower the operating temperature of solid oxide cells (SOCs) to the intermediate temperature range of 400–600 °C. This is attributed to their superior ionic conductivity compared to oxide ion conductors under these conditions. However, prominent proton-conducting materials, such as yttrium-doped barium cerates and zirconates with specified compositions like BaCe_1−xY_xO_3−δ (BCY), BaZr_1−xY_xO_3−δ (BZY), and Ba(Ce,Zr)_1−yY_yO_3−δ (BCZY), face significant challenges in achieving dense electrolyte membranes. It is suggested that the incorporation of transition and alkali metal oxides as sintering additives can induce liquid phase sintering (LPS), offering an efficient method to facilitate the densification of these proton-conducting ceramics. However, current research underscores that incorporating these sintering additives may lead to adverse secondary effects on the ionic transport properties of these materials since the concentration and mobility of protonic defects in a perovskite are highly sensitive to symmetry change. Such a drop in ionic conductivity, specifically proton transference, can adversely affect the overall performance of cells. The extent of variation in the proton conductivity of the perovskite BCZY depends on the type and concentration of the sintering aid, the nature of the sintering aid precursors used, the incorporation technique, and the sintering profile. This review provides a synopsis of various potential sintering techniques, explores the influence of diverse sintering additives, and evaluates their effects on the densification, ionic transport, and electrochemical properties of BCZY. We also report the performance of most of these combinations in an actual test environment (fuel cell or electrolysis mode) and comparison with BCZY. Full article

Mixed oxides featuring perovskite-type structures (ABO₃) offer promising catalytic properties for applications focused on the control of atmospheric pollution. In this work, a series of Ba_xMnO₃ (x = 1, 0.9, 0.8 and 0.7) samples have been synthesized, characterized and tested as catalysts for CO oxidation reaction in conditions close to that found in the exhausts of last-generation automotive internal combustion engines. All samples were observed to be active as catalysts for CO oxidation during CO-TPRe tests, with Ba_0.7MnO₃ (B0.7M) being the most active one, as it presents the highest amount of oxygen vacancies (which act as active sites for CO oxidation) and Mn (IV), which features the highest levels of reducibility and the best redox properties. B0.7M has also showcased a high stability during reactions at 300 °C, even though a slightly lower CO conversion is achieved during the second consecutive reaction cycle. This performance appears to be related to the decrease in the Mn (IV)/Mn (III) ratio. Full article

In the present work, we investigate the potential of modified barium titanate (BaTiO₃), an inexpensive perovskite oxide derived from earth-abundant precursors, for developing efficient water oxidation electrocatalysts using first-principles calculations. Based on our calculations, Rh doping is a way of making BaTiO₃ absorb more light and have less overpotential needed for water to oxidize. It has been shown that a TiO₂-terminated BaTiO₃ (001) surface is more promising from the point of view of its use as a catalyst. Rh doping expands the spectrum of absorbed light to the entire visible range. The aqueous environment significantly affects the ability of Rh-doped BaTiO₃ to absorb solar radiation. After Ti→Rh replacement, the doping ion can take over part of the electron density from neighboring oxygen ions. As a result, during the water oxidation reaction, rhodium ions can be in an intermediate oxidation state between 3+ and 4+. This affects the adsorption energy of reaction intermediates on the catalyst’s surface, reducing the overpotential value. Full article

Current research efforts in the field of the semiconducting chalcogenide perovskites are directed towards the fabrication of thin films and subsequently determine their performance in the photovoltaic application. These efforts are motivated by the outstanding properties of this class of materials in terms of stability, high absorption coefficient near the band edge and no significant health concerns compared to their halide counterparts. The approach followed here is to use stacked precursor layers and is adopted from other chalcogenide photovoltaic materials like the kesterites and chalcopyrites. The successful synthesis of BaZrS₃ from stacked layers of BaS and Zr and annealing at high temperatures (~1100 °C) with the addition of elemental sulfur is demonstrated. However, the film shows the presence of secondary phases and a flawed surface. As an alternative to this, BaS₃ could be used as precursor due to its low melting point of 554 °C. Previously, the fabrication of BaS₃ films was demonstrated, but in order to utilize them in the fabrication of BaZrS₃ thin films, their microstructure and processing are further improved in this work by reducing the synthesis temperature to 300 °C, resulting in a smoother surface. This work lays the groundwork for future research in the fabrication of chalcogenide perovskites utilizing stacked layers and BaS₃. Full article

The ferroelectric phase transition of the perovskite barium titanate as well as its technical importance regarding the switching of respective polar properties is well known and has been thoroughly studied, both experimentally and on theoretical grounds. While details about the phase diagram as well as transition temperatures are experimentally well known, the theoretical approaches still face difficulties in contributing a detailed description of these phase transitions. Within this work, a new methodological approach is introduced to revisit the ferroelectric phase transition with first-principles methods. With the chosen ab initio molecular dynamics (AIMD) method in combination with the applied NpT ensemble, we are able to join the accuracy of density functional theory (DFT) with ambient conditions, realized using a thermostat and barostat in an MD simulation. The derived phase diagram confirms recent corrections in the theoretical models and reproduces the phase boundary pressure dependence of T_C. In conclusion of the statistical atomistic dynamics, the nature of the transition can be described in a more detailed way. In addition, this work paves the way towards locally patterned piezoelectrica by means of acoustic standing waves as well as piezoelectrically induced acoustic resonators. Full article

The use of photocatalytic technology to degrade polyacrylamide in crude oil extraction wastewater is a promising approach, but there have been few reports so far. In this study, ZnFe₂O₄/Ba_0.7Sr_0.3TiO₃ heterogeneous composite materials of a spinel/perovskite type with different proportions were synthesized. The composite materials with 31% ZnFe₂O₄ content exhibited a maximum polyacrylamide degradation efficiency of 46.54%, which demonstrated the unique role of the spinel/perovskite heterogeneous structure. When Ag nanoparticles were grown in situ on the surface of ZnFe₂O₄/Ba_0.7Sr_0.3TiO₃, the photocatalytic degradation efficiency reached 81.28%. The main reason was that the introduction of Ag nanoparticles not only increased the active sites and enhanced light absorption capacity but also accelerated the separation of photo-generated charges. This work provides new ideas for the construction of spinel/perovskite heterogeneous composite materials and has reference significance for the application of photocatalytic degradation in the treatment of wastewater-containing polymers. Full article

The structural properties of selected (Ba_1−xSr_x)PbO₃ ceramics were examined at 14–1148 K using X-ray powder diffraction (XRD). These materials are attractive due to their variety of applications, such as, for example, high-temperature thermoelectric energy conversion. Attention was paid to this paper as a continuation of the previous examinations of higher Sr²⁺ concentrations. The type of perovskite distortion and temperatures of the structural phase transitions (SPTs) were determined from the splitting of certain pseudocubic lines. At this point, for example (Ba_0.3Sr_0.7)PbO₃ showed three temperature-induced SPTs. When the amount of Sr increased in the samples, no phase transition was observed, which is contrary to the data previously demonstrated in the literature. The quality of the ceramics was examined by scanning electron microscopy-energy dispersion X-ray spectroscopy (SEM-EDS), demonstrating their homogeneity and uniform elements dispersion. As a result of profound crystal investigations, confirmed by thermogravimetric analysis and quadrupole mass spectroscopy (TGA-QMS), a phase diagram was prepared for the (Ba_1−xSr_x)PbO₃ system based on our former and recent study. Also, the investigation of a new application for the (Ba_1−xSr_x)PbO₃ family is presented in this paper for the first time. The TGA analysis was conducted on Illinois#6 hard coal to evaluate the capability of perovskites to be used in the chemical looping combustion (CLC) process in a range of temperatures 1073–1173 K. Due to its thermal stability and reactivity, Ba_0.9Sr_0.1PbO₃ is the material with the greatest potential to be applied as an oxygen carrier. The combination of strontium and barium offers encouraging results compared to the pure barium and strontium lead oxide perovskites. Full article

Perovskite barium titanate (BaTiO₃) has received a lot of interest due to its extraordinary dielectric and ferroelectric properties, along with its moderate biocompatibility. Here, we investigated how Zn doping tuned the physicochemical characteristics, photocatalytic activity, and anticancer potential of BaTiO₃ nanoparticles synthesized from banana peel extract. XRD, TEM, SEM, EDS, XPS, BET, Raman, and PL were utilized to characterize the as-synthesized pure and Zn (1 and 3 mol%)-doped BaTiO₃ nanoparticles. All of the synthesized samples showed evidence of the BaTiO₃ tetragonal phase, and the XRD patterns of the Zn-doped BaTiO₃ nanoparticles showed the presence of a Zn peak. The particle size of BaTiO₃ decreased with increasing levels of Zn doping without morphological changes. After Zn doping, the PL intensity of BaTiO₃ decreased, suggesting a lower electron–hole recombination rate. BET analysis found that the surface area of Zn-doped BaTiO₃ nanoparticles was higher than that of pure BaTiO₃. Under visible irradiation, the photocatalytic activity of pure and Zn-doped BaTiO₃ nanoparticles was compared, and a remarkable 85% photocatalytic activity of Zn (3%)-doped BaTiO₃ nanoparticles was measured. As a result, Zn-doped BaTiO₃ nanoparticles are recognized as excellent photocatalysts for degrading organic pollutants. According to cytotoxicity data, Zn (3%)-doped BaTiO₃ nanoparticles display four-fold greater anticancer activity against human lung carcinoma (A549) than pure BaTiO₃ nanoparticles. It was also observed that Zn-doped BaTiO₃ nanoparticles kill cancer cells by increasing the intracellular level of reactive oxygen species. Furthermore, compared to pure BaTiO₃, the Zn-doped BaTiO₃ nanostructure showed better cytocompatibility in non-cancerous human lung fibroblasts (IMR90). The Zn-doped BaTiO₃ nanoparticles have a reduced particle size, increased surface area, and a lower electron–hole recombination rate, which are highly beneficial for enhanced photocatalytic and anticancer activity. Overall, current data showed that green-fabricated Zn-BaTiO₃ nanoparticles have superior photocatalytic and anticancer effects along with improved biocompatibility compared to those of pure BaTiO₃. This work underlines the significance of utilizing agricultural waste (e.g., fruit peel) for the fabrication of BaTiO₃-based nanostructures, which hold great promise for biomedical and environmental applications. Full article

The (Ba_0.85Ca_0.15) (Ti_0.90Zr_0.10)O₃ + x Y³⁺ + x Nb⁵⁺ (abbreviated as BCZT-x(Nb + Y), x = 0 mol%, 0.05 mol%, 0.1 mol%, 0.2 mol%, 0.3 mol%) lead-free piezoceramics samples were prepared by a traditional solid-state sintering method. And the effects of Yttrium and Niobium elements (Y³⁺ and Nb⁵⁺) co-doping on the defect, phase and structure, microstructure, and comprehensive electrical properties have been investigated. Research results show that the Y and Nb elements co-doping can dramatically enhance piezoelectric properties. It is worth noting that XPS defect chemistry analysis, XRD phase analysis and TEM results together show that a new phase of double perovskite structure Barium Yttrium Niobium Oxide (Ba₂YNbO₆) is formed in the ceramic, and the XRD Rietveld refinement and TEM results show the coexistence of the R-O-T phase. Both these two reasons together lead to significant performance improvements of piezoelectric constant (d₃₃) and planar electro-mechanical coupling coefficient (k_p). The functional relation between temperature and dielectric constant testing results present that the Curie temperature increases slightly, which shows the same law as the change of piezoelectric properties. The ceramic sample reaches an optimal performance at x = 0.1% of BCZT-x(Nb + Y), where d₃₃ = 667 pC/N, k_p = 0.58, ε_r = 5656, tanδ = 0.022, P_r = 12.8 μC/cm², E_C = 2.17 kV/cm, T_C =92 °C, respectively. Therefore, they can be used as potential alternative materials to lead based piezoelectric ceramics. Full article

The rare-earth-doped zirconia-based solid electrolytes have gained significant interest in protonic ceramic fuel cell (PCFC) applications due to their high ionic conductivity. However, these solid electrolytes are susceptible to low conductivity and chemical stability at low operating temperatures, which are of interest in commercializing ceramic fuel cells. Thus, tailoring the structural properties of these electrolytes towards gaining high ionic conductivity at low/intermediate temperatures is crucial. In this study, Ce (cerium) and Nd (neodymium) co-doped barium zirconate perovskites, BaZr_(0.80-x-y)Ce_xNd_yY_0.10Yb_0.10O_3-δ (BZCNYYO) of various doping fractions (x, y: 0, 0.5, 0.10, 0.15), were synthesized (by the Pechini method) to systematically analyze their structural and conductivity properties. The X-ray diffraction patterns showed a significant lattice strain, and the stress inferences for each co-doped BZCNYYO sample were compared with Nd-cation-free reference samples, BaZrO₃ and BaZr_(0.80-x-y-z)Ce_xY_yYb_zO_3-δ (x: 0, 0.70; y: 0.20, 0.10; z: 0, 0.10). The comparative impedance investigation at low-to-intermediate temperatures (300–700 °C) showed that BaZr_0.50Ce_0.15Nd_0.15Y_0.10Yb_0.10O_3-δ offers the highest lattice strain and stress characteristics with an ionic conductivity (σ) of 0.381 mScm⁻¹ at 500 °C and activation energy (E_a) of 0.47 eV. In addition, this σ value was comparable to the best reference sample BaZr_0.10Ce_0.70Y_0.10Yb_0.10O_3-δ (0.404 mScm⁻¹) at 500 °C, and it outperformed all the reference samples when the set temperature condition was ≥600 °C. The result of this study suggests that Ce- and Nd-doped BZCNYYO solid electrolytes will be a specific choice of interest for developing intermediate-temperature PCFC applications with high ionic conductivity. Full article

The photocatalytic degradation process and absorption kinetics of the aqueous solution of the Cibacron Brilliant Yellow 3G-P dye (Y) were investigated under UV-Vis light. Pure barium titanate BaTiO₃ (BT) and cobalt ion-substituted barium Ba_1−xCo_xTiO₃ (x = 0, …, 1) nano-compound powders (BCT) were synthesized using the sol–gel method and colloidal solution destabilization, and utilized as photocatalysts. The powder X-ray diffraction (PXRD) crystal structure analysis of the BT nanoparticles (NPs) revealed a prominent reflection corresponding to the perovskite structure. However, impurities and secondary phase distributions were qualitatively identified in the PXRD patterns for x ≥ 0.2 of cobalt substitution rate. Rietveld refinements of the PXRD data showed that the BCT nano-compound series undergoes a transition from perovskite structure to isomorphous ilmenite-type rhombohedral CoTiO₃ (CT) ceramic. The nanoparticles produced displayed robust chemical interactions, according to a Fourier transform infrared spectroscopy (FTIR) analysis. The BT and BCT nanoparticles had secondary hexagonal phases that matched the PXRD results and small aggregated, more spherically shaped particles with sizes ranging from 30 to 114 nm, according to transmission electron microscopy (TEM). Following a thorough evaluation of BCT nano-compounds with (x = 0.6), energy-dispersive X-ray (EDX) compositional elemental analysis revealed random distributions of cobalt ions. Through optical analysis of the photoluminescence spectra (PL), the electronic structure, charge carriers, defects, and energy transfer mechanisms of the compounds were examined. Due to the cobalt ions being present in the BT lattice, the UV-visible absorption spectra of BCT showed a little red-shift in the absorption curves when compared to pure BT samples. The electrical and optical characteristics of materials, such as their photon absorption coefficient, can be gathered from their UV-visible spectra. The photocatalytic reaction is brought about by the electron–hole pairs produced by this absorption. The estimated band gap energies of the examined compounds, which are in the range of 3.79 to 2.89 eV, are intriguing and require more investigation into their potential as UV photocatalysts. These nano-ceramics might be able to handle issues with pollution and impurities, such as the breakdown of organic contaminants and the production of hydrogen from water. Full article

The rock-salt ordered A₂CuWO₆ (A = Sr, Ba) with I4/m space group and disordered SrCu_0.5M_0.5O_3−δ (M = Ta, Nb) with Pm3m space group perovskites were successfully obtained via a solid-state reaction route. Heat treatment of Ba₂CuWO₆ over 900 °C in air leads to phase decomposition to the barium tungstate and copper oxide. Thermogravimetric measurements reveal the strong stoichiometric oxygen content and specific oxygen capacity (ΔW_o) exceeding 2.5% for Ba₂CuWO₆. At the same time, oxygen content reveals Cu³⁺ content in SrCu_0.5Ta_0.5O_3−δ. Under the following reoxidation of Ba₂CuWO₆, step-like behavior in weight changes was observed, corresponding to possible Cu⁺ ion formation at 900 °C; in contrast, no similar effect was detected for M⁵⁺ cations. The yellow color of Ba₂CuWO₆ enables to measure the band gap 2.59 eV. SrCu_0.5Ta_0.5O_3−δ due to high oxygen valance concentration has a low thermal conductivity 1.28 W·m⁻¹·K⁻¹ in the temperature range 25–400 °C. Full article