Oxide Materials Research Articles

Composite Scaffold Materials of Nanocerium Oxide Doped with Allograft Bone: Dual Optimization Based on Anti-Inflammatory Properties and Promotion of Osteogenic Mineralization.

Spinal fusion technique is widely used in the treatment of lumbar degeneration, cervical instability, disc injury, and spinal deformity. However, it is usually accompanied by a high incidence of fusion failure and pseudoarthrosis, placing higher demands on bone implants. Therefore, materials with good biocompatibility, osteoconductivity, and even induce bone ingrowth, which can be used to improve spinal fusion rate and bone regeneration, have become a hot research topic. Here, ultra-small cerium oxide nanoparticles (CeO2 NPs) are prepared and loaded onto the surface of the homograft bone surface to prepare a composite scaffold AB@PLGA/CeO2. The composite scaffold shows the competitive ability to promote osteoblast differentiation in vitro. In vivo experiments show that AB@PLGA/CeO2 has a good bone enhancement effect. In particular, good biological effects of collagen fiber formation, osteogenic mineralization, and tissue repair are shown in intervertebral implant fusion. Further, transcriptome sequencing confirms that CeO2 NPs promote osteogenic differentiation and mineralization by regulating extracellular matrix (ECM) and collagen formation. Meanwhile, CeO2 NPs can regulate the function of the PI3K-Akt signaling pathway to exert its ability to promote osteogenic differentiation and mineralization and affect p53 and cell cycle signaling pathway to regulate osteogenic differentiation and mineralization. Hence, the proposed scaffold is a promising strategy for intervertebral fusion in the clinic.

One‐step synthesis of GO/AgNPs nanocomposite for diverse antimicrobial applications

AbstractDue to its diverse application potential, graphene oxide and silver nanoparticles (GO/AgNPs) nanocomposite material is currently under active research and scrutiny by scientists. This research synthesized the nanocomposite based on GO and AgNPs using a one‐step method with ascorbic acid's environment‐friendly reducing agent. Results indicated that the generated AgNPs, with a mean size of 20.3 nm, were deposited evenly upon the GO sheets' surface despite the absence of a stabilizer. The structural and chemical characteristics of GO/AgNP nanocomposites were studied using X‐ray diffraction, field‐emission scanning electron microscopy, atomic force microscopy, photoluminescence, and Raman analyses. The nanocomposites' antibacterial efficacy was tested with Escherichia coli (Gram‐negative) and Staphylococcus aureus (Gram‐positive). At a focus of 16 µg/L, the GO/AgNPs sample exhibited a width of inhibition zones (ZOI) of about 10 mm in diameter, larger than that of the AgNPs sample at a threefold higher concentration. These results show that the synthesized GO/AgNPs nanocomposite maintains and enhances its antimicrobial activity. Therefore, it holds promise as a safe and cost‐effective material resource for biomedicine or environmental treatment purposes.

Synthesis, characterization, and study of linear and non-linear optical properties of some newly thieno[2,3-b]thiophene analogs

Abstract Newly 3,4-Diaminothieno[2,3-b]thiophene derivatives were synthesized by attaching with different aromatic have rich electron. The resulted compounds have been investigated by FT-IR, NMR, elemental analysis, and optical absorption spectra. Comparison between these resulted compounds revealed oxoindolin-3-ylidene)amino)thieno[2,3-b]thiophene has the highest absorption peak intensity at ~ 696nm, thin films have been prepared by thermal evaporation technique and characterized by UV-Visible-NIR spectroscopy as well as the allied absorption, dielectric and dispersion parameters have been investigated and compared with other reported results. Obtained results indicated diethyl 3,4-bis(((E)-2-oxoindolin-3-ylidene)amino)thieno[2,3-b]thiophene-2,5-dicarboxylate and 3,4-bis(((E)-2-oxoindolin-3-ylidene)amino)thieno[2,3-b]thiophene-2,5-dicarbonitrile have manifested small band energy gap energy 1.95, 1.66 eV; respectively as a result of increasing conjugation and high absorption coefficient, make these compounds ideal for use in solar cell. The high nonlinear parameters such as refractive index and third-order nonlinear susceptibility of these organic compound thin films are significantly asymptotic compared with chalcogenide and oxide materials, making them suitable for nonlinear optical devices.

A hole-selective hybrid TiO2 layer for stable and low-cost photoanodes in solar water oxidation

The use of conductive and corrosion-resistant protective layers represents a key strategy for improving the durability of light absorber materials in photoelectrochemical water splitting. For high performance photoanodes such as Si, GaAs, and GaP, amorphous TiO2 protective overlayers, deposited by atomic layer deposition, are conductive for holes via a defect band in the TiO2. However, when coated on simply prepared, low-cost photoanodes such as metal oxides, no charge transfer is observed through amorphous TiO2. Here, we report a hybrid polyethyleneimine/TiO2 layer that facilitates hole transfer from model oxides BiVO4 and Fe2O3, enabling access to a broader scope of available materials for practical water oxidation. A thin polyethyleneimine layer between the light absorber and the hybrid polyethyleneimine/TiO2 acts as a hole-selective interface, improving the optoelectronic properties of the photoanode devices. These polyethyleneimine/TiO2 modified photoanodes exhibit high photostability for solar water oxidation over 400 h.

Oxygen 1s X-ray Photoelectron Spectra of Iridium Oxides as a Descriptor of the Amorphous-Rutile Character of the Surface.

Characterization of the surface of iridium oxide (IrOx) materials is of crucial importance to understand catalysts for the oxygen evolution reaction (OER) in low-temperature water electrolysis. While much of our current knowledge is based on well-defined single-crystal surfaces, surface-sensitive techniques like X-ray photoelectronic spectroscopy (XPS) are relevant to characterize the nanostructures considered. In this work, we describe a simple approach to use oxygen 1s spectra as an identifier of the amorphous/crystalline characteristics of iridium oxide structures from purely amorphous to purely crystalline. This conceptual approach was validated on seven commercially available materials. The presence of oxygen-associated defects in the surface moieties/species is shown even for purely crystalline materials with defect concentration increasing with greater amorphous character. This methodology provides us with an accessible ex situ descriptor of the catalyst surface as a baseline for further studies of the impact on catalytic properties.

Unveiling graphite anodic expansion: Insights from electrochemical techniques, mass spectrometry, and kinetic modelling

Anodic expansion of graphite at different pH has been studied by coupling a mass spectrometer to an electrochemical cell. The mass spectrometry technique permits to follow the electrochemical gasification of graphite as well as the reaction products formed from the electrolyte. The current and mass spectrometry signals suggest that the neutral medium is the least aggressive for expansion. In addition, chronoamperometric expansion of graphite at different potentials has been carried out using the neutral medium. This experimental approach permits to get detailed information about the reaction mechanism that produces graphene-oxide based materials. The effect of potential and electrolyte concentration have been studied, and it has been observed that the degree of oxidation of the graphene oxide material obtained can be controlled. In addition, a kinetic model based on a phase-moving boundary has been used to describe the chronoamperometric experiments. Two types of graphene oxide materials have been obtained with the anodic synthesis and have been classified as few-layer graphene oxide (FLGO) and graphene oxide quantum dots (GOQDs). The physicochemical and electrochemical properties of both products have been studied.

Unveiling electrochemical insights of lithium manganese oxide cathodes from manganese ore for enhanced lithium-ion battery performance

Implementing manganese-based electrode materials in lithium-ion batteries (LIBs) faces several challenges due to the low grade of manganese ore, which necessitates multiple purification and transformation steps before acquiring battery-grade electrode materials, increasing costs. At present, most Lithium Manganese Oxide (LMO) materials are synthesized using electrolytic manganese dioxide, and the development of new processes, such as hydrometallurgical processes is important for achieving a cost-effective synthesis of LMO materials. In this work, we develop a full synthesis process of LMO materials from manganese ore, through acid leaching, forming manganese sulfate monohydrate (MnSO4·H2O), an optimized thermal decomposition (at 900, 950 or 1000 °C) producing different Mn3O4 materials and a solid-state reaction, achieving the synthesis of LMO. The latter was used as a cathode material for LIB exhibiting a specific capacity comparable to the state-of-the-art LMO cathode with a remarkable cycling stability of 800 cycles with <20 % in capacity loss. These performances were attributed to the excellent redox reversibility of the LMO cathode, characterized by voltammetry and in operando and in situ characterization by Raman and XRD.

Porous PDMS-ZnO Wearable Gas Sensor for Acetone Biomarker Detection and Breath Analysis.

In response to the growing demand for global health monitoring, we report a nonintrusive health detection method using a compact, conformal wearable ultraviolet (UV)-assisted gas-sensing system based on an intrinsically flexible porous polydimethylsiloxane (PDMS)-zinc oxide (ZnO) composite layer (PPZL) for the breath acetone (BrAce) detection and breath event analysis. The enhanced acetone response is attributed to the synergistic effect of UV irradiation and the high surface area of the porous structure, which also improves the mechanical robustness. The UV-assisted wearable sensor reliably detects acetone concentrations ranging from 1 to 100 ppm at room temperature under 4.05 mW/cm2 UV intensity, even under mechanical strains such as a bending radius of 5 mm and 60% tensile strain. It accurately analyzes different breathing patterns (12-20 breaths per minute) and BrAce concentrations, maintaining a stable performance over 20 days with less than 5% signal degradation. The sensor exhibits response and recovery times of average 110-150 and 130-180 s, respectively, and maintains a consistent 3 ppm BrAce response under varying humidity levels up to 70% relative humidity, ensuring accurate detection of BrAce concentrations during real-world breath tests. Additionally, the sensor targets only specific gases, and the sensor's selectivity is not a key concern. This flexible acetone gas sensor offers a portable solution for health management and a fabrication method for designing flexible metal oxide materials.

Molecular Targets and Nano-Technological Approaches in the Treatment of Hepatic Carcinoma.

Liver cancer is a leading cause of cancer-related mortality, with about one million people losing their lives each year. The disease becomes even more dangerous when tumors cannot be removed through surgery. Globally, hepatocellular carcinoma (HCC) ranks third in terms of fatality rates among liver cancers. It is also the most frequent type of liver cancer. Due to the high mortality rate associated with this malignancy, it is a hotspot for researchers looking to improve treatment methods. Nanotechnology plays an important part in these at-tempts. Various types of nanoparticles (NPs) have been investigated for their ability to fight liver cancer. NPs are a vast class of materials. The article details the efforts made to include inorganic NPs, such as silver, gold, metal oxide, platinum, calcium, selenium, and other un-common materials into drug delivery systems (DDS) for therapeutic, carrier, or imaging pur-poses. This review discusses the function of carbon-based NPs in DDS for the treatment of liver cancer, including polymeric, polysaccharide, lipid, and carbon dot NPs, all of which have been extensively researched for this purpose. The purpose of this review is to provide a con-cise overview of recent developments in the field of HCC based on current research and clini-cal diagnosis and treatment guidelines. Further goals include elucidating the current state of nanomaterials research, its limitations, and the potential for future advancements in the field, as well as the use of nanotechnology in the detection and treatment of HCC.

The Effect of Heat Treatment on the Sol–Gel Preparation of TiO2/ZnO Catalysts and Their Testing in the Photodegradation of Tartrazine

This study aims to synthesize TiO2/ZnO powders and to study the effect of heat treatment on their photocatalytic ability against the Tartrazine anionic dye. The as-obtained powders with the following compositions—90TiO2/10ZnO and 10TiO2/90ZnO (mol%)—were obtained by the sol–gel technique. The prepared gels were annealed at 500 °C and 700 °C and subsequently characterized by XRD, UV–Vis, and SEM methods. The single crystalline phase of TiO2, which has been detected at up to 500 °C is anatase, while for ZnO, it is the hexagonal wurtzite structure. Further increases in the temperature (700 °C) led to the appearance of rutile in the samples. The SEM analysis demonstrated that the binary oxide materials had irregular shaped particles with a tendency to agglomerate. The UV–Vis spectra of the gels exhibited a red shift in the cut-off of the 90TiO2/10ZnO sample compared with pure Ti(IV) butoxide. Photocatalytic tests showed that the investigated samples possessed photocatalytic activity toward Tartrazine. Compared with TiO2, the prepared TiO2/ZnO photocatalysts showed superior properties in the photodegradation of a Tartrazine water solution. The target photocatalysts’ enhanced photocatalytic activities can be explained by their reduced band gap energy, improved surface physicochemical characteristics, separation of photo-induced electron–hole pairs, and lowered recombination rate. Higher photocatalytic activity was observed for powders annealed at 500 °C, with the 10TiO2/90ZnO (mol%) sample exhibiting the highest photocatalytic degradation of the used organic dye.

Amorphous Exsolution of Fe3O4 Nanoparticles in SrTiO3: A Path to High Activity and Stability in Photoelectrochemical Water‐Splitting

Exsolution creates metal nanoparticles embedded within perovskite oxide matrices, promoting optimal exposure, even distribution, and robust interactions with the perovskite structure. Fe3O4, an oxidized form of Fe, is an attractive catalyst for photoelectrochemical (PEC) water‐splitting due to its strong light absorption, excellent electrical conductivity, and chemical stability. However, exsolving Fe is challenging, often requiring harsh reduction conditions that can decompose the perovskite. Herein, hybrid composites are fabricated for PEC water‐splitting by reductively annealing a solution of SrTiO3 photoanode and Fe cocatalyst precursors. In situ transmission electron microscopy reveals uniform, high‐density Fe particles exsolving from amorphous SrTiO3 films, followed by film‐crystallization at elevated temperatures. This innovative process extracts entire Fe dopants while maintaining structural stability, even at doping levels exceeding 50%. Upon air exposure, the embedded Fe particles oxidize to Fe3O4, forming a Schottky junction and enhancing light absorption. These conditions yield a high activity of 5.10 mA cm−2 at 1.23 V versus reversible hydrogen electrode (an 11.86‐fold improvement over SrTiO3) from the 30% Fe‐doped SrTiO3, with excellent stability (97% retention) over 24 h. Theoretical calculations indicate that in the amorphous state, FeO bonds weaken while TiO bonds remain strong, promoting selective exsolution. The mechanisms driving amorphous exsolution versus crystal exsolution are elucidated.

Morphology and Magnetic Properties of Ni Nanowires in Thin Film Anodic Alumina Templates

The features of the morphology and magnetic properties of Ni nanowire arrays have been studied. Aluminum oxide matrices are used as a template for electrolytic deposition of nanowires. The matrices are obtained by anodizing the aluminum films with a thickness of 2 μm that are formed on glass substrates by high frequency ion sputtering. Electrochemical deposition of the metal is carried out using direct and alternating currents. Morphology and microstructure studies show that the nanowire arrays are polycrystalline and have a branched dendritic structure due to the morphological features of aluminum oxide matrices. A relationship between the magnetization reversal patterns and the modes of electrodeposition of Ni nanowire arrays is established. The process of magnetization reversal of an array of this kind of structures is simulated.

In-situ biosynthesis of metallic nanoparticles using Allium sativum and Chondrilla juncea extract: characterization and application in dye decolorization

The synthesis of catalysts has gained specific concern due to their versatile applications in particular azo dye decolorization. In the current work, metallic nanoparticles (copper and silver) were In-situ biosynthesised using Allium sativum and Chondrilla juncea extract. The obtained Allium-copper oxide and Allium-silver oxide materials were analyzed using SEM, TEM, FT-IR, TGA-DTG, SEM, TEM, and XRD techniques. Allium peels had a rough surface, with nanoparticles equally distributed over it. The crystal structure of Allium peels was altered after the addition of CuO and AgO nanoparticles. The highest residual mass values in the prepared materials indicated that the metallic nanoparticles were, in situ, formed. The prepared materials had worse thermal stability than Allium peel powders. The azo dyes, Calmagite and Naphthol Blue Black B were tested in the catalytic power of the resulting materials. The decolorization process was affected by the dye structure, amount of H2O2, dye concentration, time of reaction, and temperature of the bath. The activation energy values for Allium-CuO were 18.44 kJ mol−1 for calmagite, and 23.28 kJ mol−1 for naphthol blue black, respectively. Nevertheless, the energy values for Allium-AgO were 50.01 kJ mol−1 for calmagite and 12.44 kJ mol−1 for Naphthol blue black. The calculated low energy values for the prepared materials suggested the high efficiency of the use of these catalysts in azo dye decolorization under the change of some main experimental conditions.

Tuning structural and optical properties of GO@Mn-doped Co3O4 hybrid nanocomposite by a facile synthesis

Metal and metal oxide materials are mostly used to tune the optical characteristics. The optical and systemic effects of pure Cobalt Oxide (Co3O4) are examined by knocking out the dissimilar assemblage of Manganese (Mn) ions using the co-precipitation method. Graphene oxide (GO) reduces the optical band gap and enhances the effects of ethical Co3O4 and MnCo3O4 by hydrothermal procedure. The percentage of Mn over pure Co3O4 was 0.09wt.%, 0.18wt.%, 0.27wt.%, and GO doped over MnCo3O4 was 1wt.%. Remarkably, spinel-type cobalt oxide has two participation band gaps at 494nm and 772nm of nanocomposites which then shifted from 494nm to 510nm and 772nm to 779nm with the doping of GO. The result describes that the band gap was minimized from 1.76eV to 1.59eV respectively to accommodate the density of states by doping of Mn ions and GO. Conductivity and optical absorbance were also increased by doping assemblage of Mn ions and GO. XRD peaks show the FCC crystalline structure of Co3O4, and the GO peak disappeared for @MnCo3O4, indicating that GO was completely reduced to rGO during the synthesis process.

3D Binder-Free Mo@CoO Electrodes Directly Manufactured in One Step via Electric Discharge Machining for In-Plane Microsupercapacitor Application

Cobalt oxide-based in-plane microsupercapacitors (IPMSCs) stand out as a favorable choice for various applications in energy sources for the Internet of Things (IoT) and other microelectronic devices due to their abundant natural resources and high theoretical specific capacitance. However, the low electronic conductivity of cobalt oxide greatly hinders its further application in energy storage devices. Herein, a new manufacturing method of electric discharging machining (EDM), which is simple, safe, efficient, and environment-friendly, has been developed for synthesizing Mo-doped and oxygen-vacancy-enriched Co-CoO (Mo@Co-CoO) integrated microelectrodes for efficiently constructing Mo@Co-CoO IPMSCs with customized structures in a single step for the first time. The Mo@Co-CoO IPMSCs with three loops (IPMSCs3) exhibited a maximum areal capacitance of 30.4 mF cm−2 at 2 mV s−1. Moreover, the Mo@Co-CoO IPMSCs3 showed good capacitive behavior at a super-high scanning rate of 100 V s−1, which is around 500–1000 times higher than most reported CoO-based electrodes. It is important to note that the IPMSCs were fabricated using a one-step EDM process without any assistance of other material processing techniques, toxic chemicals, low conductivity binders, exceptional current collectors, and conductive fillers. This novel fabrication method developed in this research opens a new avenue to simplify material synthesis, providing a novel way for realizing intelligent, digital, and green manufacturing of various metal oxide materials, microelectrodes, and microdevices.

A chronicle of titanium niobium oxide materials for high‐performance lithium‐ion batteries: From laboratory to industry

AbstractTitanium niobium oxide (TiNbxO2 + 2.5x) is emerging as a promising electrode material for rechargeable lithium‐ion batteries (LIBs) due to its exceptional safety characteristics, high electrochemical properties (e.g., cycling stability and rate performance), and eco‐friendliness. However, several intrinsic critical drawbacks, such as relatively low electrical conductivity, significantly hinder its practical applications. Developing reliable strategies is crucial to accelerating the practical use of TiNbxO2 + 2.5x‐based materials in LIBs, especially high‐power LIBs. Here, we provide a chronicle review of the research progress on TiNbxO2 + 2.5x‐based anodes from the early 1950s to the present, which is classified into early stage (before 2008), emerging stage (2008–2012), explosive stage (2013–2017), commercialization (2018), steady development (2018–2022), and new breakthrough stage (since 2022). In each stage, the advancements in the fundamental science and application of the TiNbxO2 + 2.5x‐based anodes are reviewed, and the corresponding developing trends of TiNbxO2 + 2.5x‐based anodes are summarized. Moreover, several future research directions to propel the practical use of TiNbxO2 + 2.5x anodes are suggested based on reviewing the history. This review is expected to pave the way for developing the fabrication and application of high‐performance TiNbxO2 + 2.5x‐based anodes for LIBs.

Influence of Mg2+ doping on the oxide ion conductivity of layered ferroelectric SrBi2Ta2O9

Layered perovskites structures are an interesting candidate to explore as a potential electrolyte materials for Solid oxide fuel cell (SOFC) applications. However, achieving a high ionic conductivity (∼0.01 S cm⁻1 below 650 °C) remains a significant challenge to lowering the SOFC operating temperatures. SrBi2Ta2O9 (SBT), an Aurivillius-based layered perovskite, is a well-known ferroelectric material with TC of 320 °C. Site exchange and Bi volatility related defects lead to ionic conductivity in SBT above 700 °C. Here, we aim to control the defect chemistry by doping to promote the oxygen vacancies. We show that Mg doping at the Ta-site in the perovskite block results in 4-fold increase in the bulk conductivity of SBT 3.65 × 10−4 S cm−1 and improvement in the ionic transport number from 0.26 to 0.71. The study provides an opportunity to design new oxide ion conductors in layered ferroelectric oxides.

Ni- and Co-Based MOF-Derived NixCo3-xO4 Materials: As an Efficient Anode for Direct Methanol Fuel Cell Application.

Finding inexpensive and efficient anode materials is crucial for the oxidation of methanol in the direct methanol fuel cell (DMFC), which is the key electrode reaction. Herein, we report metal-organic framework (MOF)-derived Co3O4, NiO, and NixCo3-xO4 (where x = 1.5, 1, and 0.6) materials deposited on nickel foam as efficient anode material for methanol oxidation. Among them, NiCo2O4 exhibited the highest methanol oxidation activity, owing to its lowest charge-transfer resistance (0.097 Ω) and high electrochemically active surface area (1950 cm2), resulting in the lowest onset potential of 0.35 V vs Hg/HgO. The optimized Ni-to-Co ratio and synergistic effect between Ni and Co metals enable NiCo2O4 to achieve the highest mass activity of 151 mA mg-1 and geometric current density of 288 mA cm-2, demonstrating excellent durability over 14 h at 0.6 V. In addition, to optimize methanol concentration, all the electrocatalysts were tested in a range of methanol concentrations, showing 0.5 M methanol as the optimal concentration. This study focuses on optimizing the metal ratio and methanol concentration to achieve the highest catalytic activity. Additionally, this lays the foundation for developing diverse MOF-derived electrocatalysts and advancing DMFCs.

Artificial synapses based on HfOx/TiOy memristor devices for neuromorphic applications

As a result of enormous progress in nanoscale electronics, interest in artificial intelligence (AI) supported systems has also increased greatly. These systems are typically designed to process computationally intensive data. Parallel processing neural network architectures are particularly noteworthy for their ability to process dense data at high speeds, making them suitable candidates for AI algorithms. Due to their ability to combine processing and memory functions in a single device, memristors offer a significant advantage over other electronic platforms in terms of area scaling efficiency and energy savings. In this study, single-layer and bilayer metal-oxide HfOxand TiOymemristor devices inspired by biological synapses were fabricated by pulsed laser and magnetron sputtering deposition techniques in high vacuum with different oxide thicknesses. The structural and electrical properties of the fabricated devices were analysed using x-ray reflectivity, x-ray photoelectron spectroscopy, and standard two-probe electrical characterization measurements. The stoichiometry and degree of oxidation of the elements in the oxide material for each thin film were determined. Moreover, the switching characteristics of the metal oxide upper layer in bilayer devices indicated its potential as a selective layer for synapse. The devices successfully maintained the previous conductivity values, and the conductivity increased after each pulse and reached its maximum value. Furthermore, the study successfully observed synaptic behaviours with long-term potentiation, long-term depression (LTD), paired-pulse facilitation, and spike-timing-dependent plasticity, showcasing potential of the devices for neuromorphic computing applications.

Unveiling the recently synthesis noncentrosymmetric layered ASb3X2O12 (A = K, Rb, Cs, Tl; X = Se, Te) via first principles calculations

This study explores the structural, optical, and thermoelectric properties of non-centrosymmetric layered selenite and tellurite compounds KSb3Se2O12, RbSb3Se2O12, CsSb3Se2O12, TlSb3Se2O12, KSb3Te2O12, RbSb3Te2O12, CsSb3Te2O12, TlSb3Te2O12 to assess their potential for sustainable and renewable energy technologies. The selenite and tellurite compounds feature distinct non-centrosymmetric layered crystal structures, which are key to their unique optical and electronic properties. The materials display a layered structure without a center of symmetry, characterized by distinct atomic arrangements, and their band gaps vary depending on the constituent elements. For selenites, band gaps range from 2.97 eV to 3.19 eV, while for tellurites, they range from 2.75 eV to 3.02 eV, indicate their suitability for indirect semiconducting applications. The investigated materials exhibit high absorbance in the ultraviolet region, suggesting they are promising for solar cell applications. The energy loss function peaks at 14 eV, indicating minimal optical loss in the infrared and visible spectra. The static dielectric constants ε1(0) were calculated, showing variations based on the elemental composition. The response of ε2(ω) demonstrates strong interactions in the ultraviolet region, corresponding to electronic transitions from the valence to the conduction bands. Thermoelectric properties, evaluated with the BoltzTrap code using transport theory. The Seebeck coefficient of p-type semiconductors typically increases with temperature, but TlSb3Se2O12 shows an even greater increase, suggesting enhanced thermoelectric properties. Both selenites and tellurites have rising electrical conductivities, with ASb3Se2O12 peaking at 800 K. The Power Factor improves with temperature, reaching a peak for TlSb3Se2O12. These compounds exhibit favorable electrical conductivity and power factor, suggesting potential applications in thermoelectric systems. The figure of merit (ZT) values spanning from 0.90 to 1.51, with a maximum ZT value of 1.41 at 800 K, TlSb3Se2O12 shows great potential for high-temperature thermoelectric applications. These findings advance the understanding of non-centrosymmetric oxide materials and provide valuable insights for developing advanced materials for energy technologies.