CaTiO3 Research Articles

Comparative study of calcium phosphate formation on sol-gel and solid-state synthesized calcium titanate surfaces

Comparative study of calcium phosphate formation on sol-gel and solid-state synthesized calcium titanate surfaces

Effect of Co doped BCT on structural, microstructural, dielectric, and multiferroic properties

The structural, microstructural, dielectric, optical, ferroelectric, and magnetic properties of cobalt doped barium calcium titanate (BCT) (Ba0.80Ca0.20Ti1-xCoxO3 with x = 0.000, 0.005, 0.010, 0.015, and 0.020) ceramics have been reported in this paper. The ceramic samples were prepared by the conventional solid-state reaction method. For all of the prepared samples, the tetragonal structure with the space group P4mm has been confirmed using the refinement method through Rietveld refinement of X-ray diffraction patterns. Field Emission Scanning Electron Microscopy (FESEM) micrographs revealed that the average particle size exists in micrometre range (0.3–0.8) μm. Optical studies revealed a gradual decrease in the energy bandgap from 3.31 eV to 2.71 eV with increasing doping concentration. A decreasing trend was observed in the dielectric characteristics of the material with changing frequencies at room temperature. Ferroelectric (P-E loops) analysis displayed an increase in both remnant polarization and maximum polarization of the ceramic with the increasing applied electric field. The highest value for the energy storage efficiency (η) was calculated to be 20.51 %. Magnetic analysis conducted at room temperature revealed the enhancement in ferromagnetism with the increase in doping concentration.

Influence of rapid heat treatment on the photocatalytic activity and stability of calcium titanates against a broad range of pollutants

Calcium titanate (CTO) photocatalysts were synthesized using a sol–gel method by adopting a cost-efficient, rapid calcination technique. The CTOs were characterized by X-ray diffractometry, X-ray photoelectron spectroscopy, infrared spectroscopy, nitrogen adsorption, porosimetry measurements, scanning/transmission electron microscopy, and diffuse reflectance spectroscopy. Their photocatalytic activity was assessed through the photocatalytic degradation of phenol, oxalic acid, and chlorophenol under UV light exposure, using a commercial CTO as a reference. The stability of the samples was evaluated using compounds with –OH, –COOH, and –Cl functional groups. Characterization results showed that CTO composites containing anatase, rutile, and brookite titania were obtained. Increasing the calcination temperature led to various crystalline compositions, higher crystallinity, larger primary crystallite sizes, and smaller specific surface areas. The photocatalytic activity of all CTO/TiO2 composites was superior compared to the commercial CTO we used as a reference. The high photocatalytic activity of the best-performing composites was attributed to their higher specific surface areas and the synergistic effect between the crystal phases. A cost comparison was also made between our unique calcination technique and conventional calcination, and it was found that our method is approximately 35% more cost-effective, while retaining the photocatalytic activity.

Selective laser texturing of dual-functional CTO/rGO film to enhance photocatalytic activity and self-cleaning capability

Utilizing selective laser texturing technology, calcium titanate integrated with reduced graphene oxide (CTO/rGO) films is prepared with patterned surface which was endowed for the first time with dual functions of hydrophilicity and anti-reflection, aiming to improve the reusability of photocatalyst and to enhance the practicability of photocatalytic degradation technology. The patterned film was verified to possess excellent photocatalytic activity and recyclability, the pseudo-first-order rate constant k of which was improved up to 45 % compared with the primitive film and even much better than of the CTO/rGO photocatalyst powder. In addition, the degradation rate of the used film can be significantly recovered to 89.06 % after combined treatment with ultrasound and UV, maintaining its long-term stable degradation ability. On the one hand, the improved hydrophilicity was beneficial to increase the contact area between the contaminants and the photocatalytic film surface, which will provide more reaction sites and make it much easier to remove the residual dye absorbed on the surface; on the other hand, the enhance of anti-reflection performance will improve the utilization rate of the incident light, thus increasing the photocatalytic activity of the patterned film. This study provides new ideas and methods for the preparation of efficient and stable photocatalytic film.

Studies on the compositional dependent structural and electrical properties of CaTiO3-modified K0.5Na0.5NbO3 piezoelectric system

Lead-free piezoelectric ceramics of (1 − x)K0.5Na0.5NbO3-xCaTiO3 were fabricated, and their crystal structure, microstructure, and electrical properties were systematically studied. Rietveld refinement of the x-ray diffraction data and Raman spectroscopic analyses revealed a composition-dependent structural phase transition: three phase transitions, namely, from a pure orthorhombic phase for x ≤ 0.02 to a mixed phase of orthorhombic and tetragonal phases (0.03 ≤ x ≤ 0.08) and finally another mixed phase of tetragonal + cubic for x = 0.10 and 0.15 at room temperature (RT). The morphological study reveals a decrease in grain size along with a more uniform distribution of grains as the concentration of CaTiO3 (CT) increases; notably, a homogeneous distribution of grains is observed for x = 0.05. The temperature-dependent dielectric properties show two phase transitions, from orthorhombic to tetragonal (TO-T) and tetragonal to cubic (TC), for unmodified K0.5Na0.5NbO3 (KNN). However, both the phase transition temperatures (TO-T and TC) decrease, and the transition peaks broaden with an increase in CT substitution, and for x > 0.06, the TO-T shifted below RT. The broadening of the transition peak at TO-T may be due to the relaxation behavior. Among the prepared samples, the 5 mol. % CT-modified KNN shows the optimum electrical properties (d33 = 114 pC/N, ɛr = 412, and 2Pr = 15.25 μC/cm2) at RT. The enhanced electrical properties for x = 0.05 are due to the coexistence of orthorhombic and tetragonal phases, facilitating easy polarization rotation and flattening of the free energy profile. A phase diagram has been constructed based on the information gathered from the temperature-dependent dielectric measurements, RT x-ray diffraction, and Raman spectroscopy data and is discussed in detail.

Study and manufacturing of strontium calcium titanate lead-free ceramic capacitors for high-frequency applications

Study and manufacturing of strontium calcium titanate lead-free ceramic capacitors for high-frequency applications

Yocto energy assisted ternary ferroelectric barium tin calcium titanate for energy applications

Piezoelectric materials and its flexible composite have garnered interest owing to their straightforward synthesis, mechanical flexibility, and ease of customization, hence can be for utilized in energy applications such as energy storage and energy harvesting. Herein, the paper projects the aspects of lead-free ternary piezoelectric Barium Calcium Tin Titanate (BCST) as a future of energy storage materials. BCST synthesis involves by yocto energy () sintering. The Retiveld refinement studies confirms tetragonal structure and an average grain size of 0.95 µm is found by SEM. XPS verifies the presence of Ca and Sn within BT matrix. A colossal dielectric constant of 35,291 at Curie temperature is noted. The ferroelectricity of BCST ceramic is confirmed by polarization versus electric field hysteresis loops. The BCST demonstrated a promising energy storage efficiency of 70.2 %. For energy harvesting application, the PVDF/BCST flexible piezoelectric nanogenerator (PENG) is fabricated. The Fourier Transform Infrared analysis reveals that the flexible composite demonstrates an elevated β-fraction (79.02 %) in comparison to the pure PVDF (23.2 %). The flexible PENGs exhibited an open-circuit voltage of 5.5Vpp and a short-circuit current of 0.6 µA at a force of 3 N. Thus, BCST and its composite is future material to be utilized in energy related applications.

Yttrium oxide nanoparticles ameliorates calcium hydroxide and calcium titanate nanoparticles induced genomic DNA and mitochondrial damage, ROS generation and inflammation

Calcium hydroxide (Ca(OH)2NPs), calcium titanate (CaTiO3NPs) and yttrium oxide (Y2O3NPs) nanoparticles are prevalent in many industries, including food and medicine, but their small size raises concerns about potential cellular damage and genotoxic effects. However, there are very limited studies available on their genotoxic effects. Hence, this was done to investigate the effects of multiple administration of Ca(OH)2NPs, CaTiO3NPs or/and Y2O3NPs on genomic DNA stability, mitochondrial membrane potential integrity and inflammation induction in mouse brain tissues. Mice were orally administered Ca(OH)2NPs, CaTiO3NPs or/and Y2O3NPs at a dose level of 50 mg/kg b.w three times a week for 2 weeks. Genomic DNA integrity was studied using Comet assay and the level of reactive oxygen species (ROS) within brain cells was analyzed using 2,7 dichlorofluorescein diacetate dye. The expression level of Presenilin-1, tumor necrosis factor-alpha (TNF-α) and Interleukin-6 (IL-6) genes and the integrity of the mitochondrial membrane potential were also detected. Oral administration of Ca(OH)2NPs caused the highest damage to genomic DNA and mitochondrial membrane potential, less genomic DNA and mitochondrial damage was induced by CaTiO3NPs administration while administration of Y2O3NPs did not cause any remarkable change in the integrity of genomic DNA and mitochondrial membrane potential. Highest ROS generation and upregulation of presenilin-1, TNF-α and IL-6 genes were also observed within the brain cells of mice administrated Ca(OH)2NPs but Y2O3NPs administration almost caused no changes in ROS generation and genes expression compared to the negative control. Administration of CaTiO3NPs alone slightly increased ROS generation and the expression level of TNF-α and IL-6 genes. Moreover, no remarkable changes in the integrity of genomic DNA and mitochondrial DNA potential, ROS level and the expression level of presenilin-1, TNF-α and IL-6 genes were noticed after simultaneous coadministration of Y2O3NPs with Ca(OH)2NPs and CaTiO3NPs. Coadministration of Y2O3NPs with Ca(OH)2NPs and CaTiO3NPs mitigated Ca(OH)2NPs and CaTiO3NPs induced ROS generation, genomic DNA damage and inflammation along with restoring the integrity of mitochondrial membrane potential through Y2O3NPs scavenging free radicals ability. Therefore, further studies are recommended to study the possibility of using Y2O3NPs to alleviate Ca(OH)2NPs and CaTiO3NPs induced genotoxic effects.

Enhancing Electrochemical Efficiency of Solid Oxide Electrolysis Cells for Carbon Dioxide Reduction Through Nickel‐Doped Titanate‐Based Cathode with Doped Ceria Electrolyte

AbstractSolid oxide electrolysis cell (SOEC) is a potential technology for converting the principal greenhouse gas, carbon dioxide (CO2), into carbon monoxide (CO) by employing renewable energy. SOECs have great potential, including high‐energy efficiency, fast electrode kinetics, and competitive cost; however, this technology still has challenges in developing highly active, robust CO2 cathode electrocatalysts. In this work, we report the Ni‐doped lanthanum strontium calcium titanate (La0.20Sr0.25Ca0.45Ni0.05Ti0.95O3−δ) cathode for application as the cathode of CO2 electrolysis with gadolinia‐doped ceria (Gd0.1Ce0.9O1.95) electrolyte in SOEC. The exsolution of Ni nanoparticles is achieved by a simple in situ growth method at 800 °C. The Ni doping in LSCT significantly improved the electrochemical activity of the catalyst by increasing oxygen vacancies, and the Ni metallic nanoparticles can afford much more active sites for CO2 reduction. The CO2 electrolysis mechanism is studied by the distribution of relaxation time analysis of impedance spectroscopy. Ni‐LSCT renders a higher activity for electrolysis of CO2 with an exceptionally high reduction current density of 3.89 A cm−2 at 2.5 V potential applied and 800 °C temperature with GDC (Gd0.1Ce0.9O1.95) electrolyte. Ni doping is a crucial factor in controlling the electrochemical performance and catalytic activity in SOEC and GDC electrolytes, which is further helped by the high ionic conductivity.

Electric field response of ferroelectric domains near non-polar precipitates in BaTiO3-based ceramics

Precipitates have recently been found to significantly enhance the mechanical quality factor in piezoelectric ceramics. Such a piezoelectric hardening effect was attributed to strong interactions between ferroelectric domains and precipitates. In the present work, the response of domains to applied electric fields is observed in situ via transmission electron microscopy in aged (Ba, Ca)TiO3 ceramics with precipitates to reveal the underlying mechanism of this phenomenon. Ferroelectric domains in the Ba-rich matrix grain are observed to be more concentrated near non-polar Ca-rich precipitates. With increasing applied voltage, domains separate from precipitates merge together first, while those near precipitates persist to higher voltages. During ramping down, domains nucleate from precipitates. These direct observations confirm the strong interactions between ferroelectric domains and precipitates in piezoelectric ceramics.

Giant polarization in tetragonal-like BiFeO3 film via (Ba,Ca)TiO3 doping

BiFeO3 is a multiferroic material, its tetragonality (T) phase usually exhibits large tetragonality (c/a ratio) and strong ferroelectricity. Unlike the commonly used method of strain engineering via substrate, here we present a general and practical approach for obtaining T-like phase BiFeO3 films through (Ba,Ca)TiO3 doping (BF-BCT). The BF-BCT film coherently grows on the La0.7Sr0.3MnO3/(La0.18Sr0.82)(Al0.59Ta0.41)O3 (001) substrate even at 180 nm thick, implying a very large critical thickness, and shows a large tetragonality of 1.12. Impressively, the films exhibit a giant remanent polarization (2Pr) of 320 μC/cm2, which is higher than the corresponding values of any other lead-free ferroelectric films reported to date. Cross-sectional scanning transmission electron microscopy measurements confirm the presence of the T-like phase in BF-BCT films, where the giant polarization might be attributed to the off-center B-site atom. The BF-BCT films are structurally homogeneous without any precipitation of the second phase. The giant polarization observed in the BF-BCT films indicate their great potential for application in next-generation storage and information devices.

Alumina solubility in periclase determined to lower mantle conditions and implications for ferropericlase inclusions in diamonds

A series of high-pressure multi-anvil experiments were conducted in the MgO-Al2O3 system between 15 and 50 GPa and at temperatures up to 2623 K, to determine the solubility of Al2O3 in periclase in the stability fields of coexisting spinel, corundum, the Mg2Al2O5 modified ludwigite phase, the MgAl2O4 calcium ferrite phase, and the MgAl2O4 calcium titanate phase. The Al2O3 solubility in periclase is strongly temperature-dependent over the conditions investigated. Conversely, periclase Al2O3 solubility exhibits a negative relationship with pressure. Experiments with up to 40 mol.% FeO in ferropericlase show Al2O3 solubilities that are near identical to those of periclase, within experimental uncertainties. A simple thermodynamic model incorporating significant literature on ambient pressure measurements is able to describe periclase Al2O3 solubility up to 40 GPa. This model is used to investigate the Al2O3 contents of ferropericlase inclusions observed in natural diamonds, which vary up to 0.35 mol. %. Pressure–temperature curves along which particular inclusions formed can be produced if equilibrium can be assumed with Al-bearing minerals found in the same diamond. Alternatively, the maximum possible Al2O3 content in ferropericlase can be determined for a certain pressure–temperature profile and inclusions with Al2O3 contents that exceed this curve can be excluded from those conditions. To obtain such solubility curves, calculations are performed for periclase coexisting with the Al-rich phases spinel, garnet, bridgmanite and the MgAl2O4 calcium ferrite phase. The calculations indicate that periclase, and by inference ferropericlase, Al2O3-contents cannot be greater than 0.5 mol.% under present day adiabatic mantle temperatures and go through a minimum at mantle transition zone conditions. This excludes a number of Al-rich ferropericlase inclusions found in natural diamonds from being formed in the transition zone, unless temperatures were super-adiabatic. This subset of inclusions likely formed either at the base of the upper mantle or the top of the lower mantle, but must have formed at near adiabatic temperatures. The majority of ferropericlase inclusions have Al2O3 contents that would be consistent with formation in the transition zone at near slab temperatures, but could still have been formed at higher temperatures if Al2O3 activities were low.

Effect of calcination temperature on structural, optical and photocatalytic properties of calcium titanate (CaTiO3) nanoparticle

In this study, the sol–gel method was used to synthesize calcium titanate (CaTiO3) at different calcination temperatures (400–800 °C). The main objective of this work is to find, using various characterization techniques, how the calcination temperature influences the optical, structural, and photocatalytic properties of CaTiO3. According to the DTA/TGA analysis, 600 °C was the ideal calcination temperature for the synthesis of CaTiO3 nanoparticles. The photocatalytic treatment of simulated wastewater demonstrates its potential application in wastewater treatment. For all calcination temperatures, the percentage of Chemical Oxygen Demand (COD) removed after treatment was 100 % for the initial COD of 700 mg/L, more than 83 % for the initial COD of 5000 mg/L, and more than 71 % for the initial COD of 16000 mg/l.

Giant permittivity response and enhanced nonlinear electrical properties in a novel perovskite-like ceramic with multiple elements

Copper calcium titanate (CaCu3Ti4O12, CCTO) ceramics are receiving a great deal of attention for advanced electronic and energy storage device applications owing to their giant permittivity response and good temperature stability. However, the development and real applications of CCTO ceramics are generally restricted by their large dielectric loss and low breakdown electric field strength. In the present study, a novel type of perovskite-like Na1/3(Ca1/2Sr1/2)1/3(Bi1/2Y1/2)1/3Cu3Ti4O12 (NCSBYCTO) ceramics were designed via multiple elements strategy based on the high-entropy concept. Consequently, all the NCSBYCTO ceramics present a giant permittivity response (103∼104), good stability of temperature and frequency, and remarkable relaxation characteristics, especially the NCSBYCTO ceramic sintered at 1050 °C exhibits a relative balance between the giant permittivity of about 7.0 × 103–9.5 × 103 and the lower dielectric loss of approximately 0.043–0.294 at a frequency range of 104–106 Hz under room temperature. Furthermore, all the NCSBYCTO ceramics present an obvious nonlinear characteristic. More encouragingly, a higher breakdown field strength of around 2552.56 V/cm accompanied by a larger nonlinear coefficient of about 6.48 is achieved in the NCSBYCTO ceramic sintered at 1070 °C. A significant electrical heterogeneity structure and electron defect structure induced by the existence of mixed-valence Cu+/Cu2+ and Ti3+/Ti4+ are also found in the NCSBYCTO ceramics. The giant permittivity response, low dielectric loss and improved nonlinear properties can be considered the synergistic effect of the defect mechanism and the internal barrier layer capacitor model. This finding offers a route for designing giant permittivity ceramics with brilliant dielectric properties and nonlinear behaviors, which is expected to benefit dual-functional device applications of capacitors and varistors.

Influence of iron substitution on structural, morphological, optical, dielectric and ferroelectric properties of lead-free strontium calcium titanate ceramics

The influence of lead-free iron substituted strontium calcium titanate on structural, morphological, optical, dielectric and ferroelectric properties were studied. Powder X - ray diffraction pattern confirms the presence of well crystalline phase and Fe addition led to the increase in crystallite size. Morphological studies confirm growth of grain size by addition of Fe3+ ions up to 20% and beyond 20%, it limits the grain size. UV–Vis spectroscopy shows substitution of Ti4+ ions by Fe3+ ions led to the visible red shift due to which it finds applications as new UV–Vis materials having tunable optical properties. Fourier transform infrared spectroscopic shows the presence of relevant modes which confirms the formation of desired composition in perovskite phase. FT-Raman spectroscopic confirm the presence of vibrational modes corresponding to orthorhombic phase thus confirming substitution of Ti4+ ions by Fe3+ ions due to the presence of A1g mode. Dielectric constant value increases with the doping of Fe3+ ions up to 20% and beyond this a decrease in the values are observed.

Strategies to Improve the Activity of Silver–loaded Calcium Titanate Crystal Photocatalyst for Photocatalytic Reduction of Carbon Dioxide with Water

AbstractThe rapid increase of carbon dioxide (CO2) in the atmosphere has sparked a global enthusiasm for carbon recycling. Photocatalytic CO2 reduction with water into carbon–containing products has attracted much attention since it can convert solar energy to the chemical potential of the products and CO2 to valuable compounds at the same time. One of the main products in the photocatalytic reaction system is carbon monoxide (CO), a useful compound for the one‐carbon chemistry and related ones. The current shortage of this system is the low production efficiency, demanding us to improve the activity of the photocatalyst. In this perspective article, by taking a calcium titanate (CaTiO3, CTO) photocatalyst with silver cocatalyst (Ag/CTO) and so on as examples that can promote the selective photocatalytic CO2 reduction with water, we shortly review some strategies to improve the photocatalytic activity such as fabrication of well–structured crystal photocatalysts, development of the surface property and cocatalyst, improvement of surface CO2 adsorption, and improvement of photoabsorption. These concepts will be widely applied and contribute to further development of photocatalytic systems.

Mechanical Grinding of Hydroxyapatite and Its Interaction with Titanium

The development of promising biocompatible composites based on hydroxyapatite with a metallic component is of great interest to researchers. This article describes the synthesis of hydroxyapatite powder by the hydrolytic method and presents the results of mechanical grinding of hydroxyapatite powder. Additionally, in order to study the interaction between titanium and hydroxyapatite powders, the results of their thermal treatment in the temperature range of 600–900 °C are presented. As a result of the hydrolytic method, a powder consisting of Ca5(PO4)3(OH) and CaO phases with a fraction of 400–600 μm was obtained. According to the results of mechanical grinding, it was determined that with an increase in grinding time from 30 to 120 min, the intensive main diffraction lines corresponding to hydroxyapatite decrease. During the thermal treatment of titanium and hydroxyapatite powders, titanium oxidizes forming suboxides and titanium dioxide (TiO2). At higher temperatures, the hydroxyapatite phase disappears from the mixture, and titanium oxide, calcium phosphate compound, and small amounts of calcium titanate and titanium hydrophosphate are present.

Enhancing Dielectric Properties of (CaCu3Ti4O12 NWs-Graphene)/PVDF Ternary Oriented Composites by Hot Stretching.

Using high-dielectric inorganic ceramics as fillers can effectively increase the dielectric constant of polymer-based composites. However, a high percentage of fillers will inevitably lead to a decrease in the mechanical toughness of the composite materials. By introducing high aspect ratio copper calcium titanate (CaCu3Ti4O12) nanowires (CCTO NWs) and graphene as fillers, the ternary poly(vinylidene fluoride) (PVDF)-based composites (CCTO NWs-graphene)/PVDF with a significant one-dimensional orientation structure were prepared by hot stretching. CCTO NWs and graphene are arranged in a directional manner to form a large number of microcapacitor structures, which significantly improves the dielectric constant of the composites. When the ratio of CCTO NWs and graphene is 0.2 and 0.02, the oriented composites have the highest dielectric constant, which is 19.3% higher than the random composites, respectively. Numerical simulations reveal that the introduction of graphene and the construction of the one-dimensional oriented microstructure have a positive effect on improving the dielectric properties of the composites. This study provides a strategy to improve the dielectric properties of composite materials by structural design without changing the filler content, which has broad application prospects in the field of electronic devices.

Comparative Study of the Orientation and Order Effects on the Thermoelectric Performance of 2D and 3D Perovskites.

Calcium titanium oxide has emerged as a highly promising material for optoelectronic devices, with recent studies suggesting its potential for favorable thermoelectric properties. However, current experimental observations indicate a low thermoelectric performance, with a significant gap between these observations and theoretical predictions. Therefore, this study employs a combined approach of experiments and simulations to thoroughly investigate the impact of structural and directional differences on the thermoelectric properties of two-dimensional (2D) and three-dimensional (3D) metal halide perovskites. Two-dimensional (2D) and three-dimensional (3D) metal halide perovskites constitute the focus of examination in this study, where an in-depth exploration of their thermoelectric properties is conducted via a comprehensive methodology incorporating simulations and experimental analyses. The non-equilibrium molecular dynamics simulation (NEMD) was utilized to calculate the thermal conductivity of the perovskite material. Thermal conductivities along both in-plane and out-plane directions of 2D perovskite were computed. The NEMD simulation results show that the thermal conductivity of the 3D perovskite is approximately 0.443 W/mK, while the thermal conductivities of the parallel and vertical oriented 2D perovskites increase with n and range from 0.158 W/mK to 0.215 W/mK and 0.289 W/mK to 0.309 W/mK, respectively. Hence, the thermal conductivity of the 2D perovskites is noticeably lower than the 3D ones. Furthermore, the parallel oriented 2D perovskites exhibit more effective blocking of heat transfer behavior than the perpendicular oriented ones. The experimental results reveal that the Seebeck coefficient of the 2D perovskites reaches 3.79 × 102 µV/K. However, the electrical conductivity of the 2D perovskites is only 4.55 × 10-5 S/cm, which is one order of magnitude lower than that of the 3D perovskites. Consequently, the calculated thermoelectric figure of merit for the 2D perovskites is approximately 1.41 × 10-7, slightly lower than that of the 3D perovskites.

Analysing the suitability of CaTiO3/Ca1–xSrxTiO3/SrTiO3 perovskite for fabrication of optoelectronic devices using QuantumATK tool: a study for electronic and optical properties

Calcium Titanate (CaTiO3) as a material has been researched for various applications like those in capacitors, piezoelectric devices and ceramic applications. Same has been possible owing to the exhibition of various characteristics of this material like high melting point (1,625 °C) and dielectric properties. However, only limited studies have been conducted to understand the impact of Strontium (Sr) doping and possibility of adopting this material into any kind of optoelectronic applications. This paper carries on an in-depth analysis on CaTiO3 and study effect of Sr as a dopant on its properties. Analysis has been carried out using Quantum ATK tool based on DFT approximations. CaTiO3 perovskite properties were studied by using the GGA (Generalized Gradient Approximation) and PBE (Perdew–Burke–Ernzerhof) functionals, which are used with the LCAO calculator. As a result of the inclusion of Sr at the Ca site, the electronic band structure of CaTiO3 was changed by the introduction of a gamma point. Bandgap of CaTiO3 was analysed to be dependent on the Sr site concentration and increased from 2.3 eV (Direct bandgap) to 2.3612 eV (Indirect bandgap), when Sr and Ca site concentration were equal, but it decreased with further increase in Sr site concentration to 1.7155 eV. Pure CaTiO3’s projected density of states changed after doping, providing evidence for the effects of the dopant on the system. As a result of an examination of the optical properties of both systems, it is found that CaTiO3 at 380 nm (close to infrared) exhibits an effective extinction coefficient (k) value of 0.78, whereas at 600 nm, the attenuation of light decreases to zero. This makes Sr doping in CaTiO3 another attractive candidate for optical devices in addition to its ability to change optical properties.