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A comprehensive study of cytosine-ZnO interactions: Theoretical and experimental insights
(Elsevier, 2025) Bulut, Niyazi; Keser, Serhat; Zanchet, Alexandre; Zuchowski, Piotr S.; Ates, Tankut; Kilic, Irfan; Kaygili, Omer
This paper presents a comprehensive investigation of the adsorption of cytosine, a DNA base, on ZnO model clusters, specifically Zn2O2, Zn3O3, Zn4O4, Zn6O6, Zn8O8 ring (R) and cubic rocksalt. A density functional theory (DFT) method was used to simulate the adsorption of cytosine on ZnO (C/ZnO) clusters. The B3LYP/LanL2DZ method, which includes a correction for the dispersion contribution, was used. The calculated energy gap (Eg) for cytosine showed a strong dependence on the cluster size, highlighting variations corresponding to the dimensions of the clusters. The proposed physisorption mechanism involves the formation of an N...Zn bond between cytosine and the active Zn site on ZnO. In addition, experimental data, including microscopic and spectroscopic evidence, were integrated to further elucidate the interactions between cytosine and ZnO. A composite of C and ZnO was prepared by the wet chemical method and characterised by SEM, XRD and FT-IR analyses. The interaction of cytosine with ZnO nanoparticles was observed by UV-vis spectroscopy. The experimental results were then compared with those obtained from DFT calculations, taking into account the new insights into the cytosine-ZnO interactions. This comparison provided a holistic understanding of the system.
Advances in metallic ion-doped hydroxyapatite: unlocking enhanced structural, biological, and functional properties for cutting-edge biomedical applications
(Springer, 2026) Kareem, Rebaz Obaid; Barzinjy, Azeez A.; Ates, Tankut; Bulut, Niyazi; Keser, Serhat; Kaygili, Omer
Hydroxyapatite (HAp) is a biomaterial that has been extensively studied for its exceptional biocompatibility, osteoconductivity and non-toxic nature, making it highly suitable for applications in bone and dental tissue engineering. This review evaluates the incorporation of metallic ions into the HAp lattice as a strategic approach to optimize its structural integrity, mechanical performance and biological functionality. Quantitative findings from recent studies show that Ag+ doping at 1 wt% reduces bacterial growth by over 95%, but higher doses ( > 3 wt%) can reduce cell viability by up to 20%. Sr2 + (5 wt%) improves bone regeneration by 25%, though excessive levels may alter lattice stability. Zn2 + at 3 wt% enhances osteoblast proliferation by 60% but can slightly reduce thermal stability. Cu2 + improves angiogenesis and antimicrobial efficacy, but high concentrations can induce cytotoxicity. Furthermore, metallic ion doping enhances the dielectric properties and contributes to anti-cancer capabilities, expanding HAp's therapeutic potential. The review also highlights advanced applications of metallic ion-doped HAp, including its role in drug delivery systems, implant surface coatings, and even environmental remediation. By synthesizing findings from recent studies, this comprehensive analysis underscores the transformative impact of metallic doping in optimizing HAp for diverse biomedical applications. These advances represent an important step in the development of multifunctional biomaterials, paving the way for innovative solutions to medical and environmental challenges.
Analysing the impact of Dy dopants on Zn-based hydroxyapatites: modelling and characterization perspectives
(Indian Acad Sciences, 2024) Buyuk, Oznur; Bulut, Niyazi; Temuz, M. mursit; Orek, Cahit; Ates, Tankut; Kaygili, Omer; Kurucay, Ali
This study is aimed to investigate the effects of introducing dysprosium (Dy) into Zn-based hydroxyapatite (HAp) at various concentrations (0.45, 0.90, 1.35 and 1.80%). The structural and optical properties of pure and doped HAp were thoroughly examined through theoretical and empirical analyses, including X-ray diffraction, Raman spectroscopy and Fourier transform infrared (FTIR) studies. The results confirmed the successful incorporation of Dy into the HAp lattice without significantly affecting its thermal stability or stoichiometry. The introduction of Dy into Zn-based HAp led to notable alterations in several material parameters. The lattice parameters, crystallinity, lattice stress, strain and anisotropic energy density varied with different Dy concentrations. In comparison with undoped HAp, all Dy-doped Zn-based HAps exhibited reduced crystallite size values, indicating a change in the microstructure. Furthermore, the material density increased from 3.159 to 3.228 g cm-3 with Dy doping. The band gap (BG), an important parameter for optical applications, is consistently decreased from 4.6 to 3.9 eV as the Dy concentration increased. This decrease in BG suggests the potential for improved photocatalytic or optoelectronic properties in Dy-doped Zn-based HAp. Additionally, the linear absorption coefficient (LAC) increased, indicating enhanced light absorption. Overall, this study provides a comprehensive understanding of structural and optical modifications induced by Dy doping in Zn-based HAp. These findings contribute to the potential application of Dy-doped Zn-based HAp in various fields, including biomedicine, photocatalysis and optoelectronics.
Ce/Sm co-doped hydroxyapatites: synthesis, characterization, and band structure calculation
(Springer, 2020) Kaygılı, Ömer; Vural, Gülay; Keser, Serhat; Yahia, İ.S.; Bulut, Niyazi; Ateş, Tankut; Köytepe, Süleyman; Temüz, Mehmet Mürşit; Ercan, Filiz; İnce, Turan
In this paper, Ce/Sm co-doped hydroxyapatites (HAps) were synthesized by a wet chemical route. The amount of Ce was kept at constant at the value of at.% 0.4, and the second dopant of Sm was used at different amounts of at.% 0, 0.6, 1.2, and 1.8, respectively. The effects of these co-dopants on the crystal structure, morphology, and thermal properties of HAp were determined experimentally using X-ray diffraction (XRD), scanning electron microscopy (SEM), differential thermal analysis (DTA), and thermogravimetric analysis (TGA). Furthermore, the band structure of the prepared samples was modeled theoretically using the quantum calculations of the density of states and band structure. A gradual increase from 26.56 to 36.23 nm in the crystallite size was observed. Although the amounts of the co-dopants of Ce and Sm did not affect the thermal stability and microstructure of HAp, its crystal structure-related parameters were affected by the amount of these co-additives. The partial substitution of both co-dopants was detected. The 0.4Ce-1.2Sm-HAp sample may be considered as the best crystal structure with a steady-state. It was seen that the band structure and density of states were also affected by these co-dopants. The bandgap value decreased gradually from 4.6078 to 4.0477 eV due to these dopants.
Characterization of SrO samples produced at two different temperatures
(Niyazi BULUT, 2021) Ince, Turan; Ateş, Tankut; Bulut, Niyazi; Keser, Serhat; Kaygili, Omer
[Abstract Not Available]
Comprehensive structural characterization of chromium-doped zinc oxides
(Springer-Verlag Italia Srl, 2025) Ates, Tankut; Keser, Serhat; Bulut, Niyazi; Kaygili, Omer
This study presents a comprehensive investigation of the effects of chromium (Cr) on the structural properties of zinc oxide (ZnO). X-ray diffraction (XRD) analysis confirmed the formation of the ZnO wurtzite phase for all samples. At lower Cr concentrations (up to 1.4 at%), Cr3(+) ions were successfully incorporated into the ZnO lattice without forming secondary phases, indicating effective substitutional doping. However, at higher Cr contents (>= 2.8 at%), the formation of a secondary ZnCr2O4 spinel phase was observed, suggesting that the Cr solubility limit in ZnO was exceeded. Cr content influenced various crystal-structure-related parameters such as crystallinity, crystallite size, lattice parameters, Zn-O bond length, lattice strain, and stress. The texture coefficient (TC(hkl)) analyses revealed a shift in preferential growth orientation from the (200) plane to the (004) plane with increasing Cr concentration. FTIR spectra supported the presence of Zn-O vibrational modes and changes in surface chemistry, while SEM images showed morphology evolution and increased surface complexity with doping.
Effects of pyrocatechol on the computational, structural, spectroscopic and thermal properties of silver-modified hydroxyapatite
(Springer, 2025) Keser, Serhat; Yildiz, Aykut; Barzinjy, Azeez A.; Kareem, Rebaz Obaid; Mahmood, Bahroz Kareem; Agid, Riyadh Saeed; Bulut, Niyazi
This study investigates the synthesis and characterization of hydroxyapatite (HAp) ceramic biomaterials doped with silver (Ag) and pyrocatechol. HAp, commonly utilized in the treatment of hard tissues including teeth and bones, was produced and analyzed to assess the structural, morphological, elemental, and thermal properties of the materials. The phase and crystal structures of the synthesized HAp biomaterials were examined using X-ray diffraction (XRD), revealing that the incorporation of Ag and pyrocatechol influenced the crystallinity and lattice parameters. Fourier transform infrared (FT-IR) spectroscopy verified the presence of the characteristic OH- and PO4(3)(-) groups of HAp, while scanning electron microscopy (SEM) displayed consistent morphologies across all samples, free of residues or impurities. Elemental compositions were determined by energy dispersive X-ray (EDX) spectroscopy, and thermal stability was assessed through differential thermal analysis (DTA) and thermogravimetric analysis (TGA). Additionally, computational studies using density functional theory (DFT) were conducted to further investigate the electronic and structural properties of 0.44% Ag-doped HAp. The DFT calculations revealed that Ag atoms replace calcium (Ca1 and Ca2) positions in the lattice, leading to slight distortions in the lattice structure and changes in the electronic density distribution. Minor changes were observed in the band structure and electronic properties, indicating the stability and tunability of the doped system. A small amount of beta-tricalcium phosphate (beta-TCP) phase was also detected alongside the main HAp phase. These results underscore the importance of incorporating pyrocatechol and silver doping into HAp for biomedical applications. The resulting biomaterials exhibit enhanced structural, thermal, and electronic properties, with improved biocompatibility and antimicrobial activity.
Effects of solvents on photonic and fluorescence properties of PtOEP phosphorescent material: Experimental and computational analysis
(Elsevier, 2020) Gündüz, Bayram; Bulut, Niyazi
The effects of different solvents (chloroform, tetrahydrofuran, toluene, methanol, acetone and chlorobenzene) on photonic and fluorescence properties of the PtOEP organic phosphorescent material were investigated with experimental and advanced computational techniques. Many parameters such as angle of incidence/refraction, contrast, optical conductance, electrical conductance, peak absorbance, peak emission, stokes shift, fluorescence quantum yield and sensitivity have been obtained. Theoretical and experimental photonic and fluorescence properties of the PtOEP material for different solvents have been compared. It was found that maximum absorbances for experimental and theoretical calculations are quite similar at a value of around 389 (nm) and depending on the solvents used here they slightly shifted to larger wavelength.
Effects of Yttrium Doping on Erbium-Based Hydroxyapatites: Theoretical and Experimental Study
(Mdpi, 2022) Ahmed, Lana Omar; Bulut, Niyazi; Kebiroglu, Hanifi; Alkhedher, Mohammad; Ates, Tankut; Koytepe, Suleyman; El Din, ElSayed M. Tag
This is the first investigation of yttrium (Y) and erbium (Er) co-doped hydroxyapatite (HAp) structures, conducted using theoretical and experimental procedures. By using a wet chemical method, the materials were synthesized by varying the concentration of Y amounts of 0.13, 0.26, 0.39, 0.52, 0.65, and 0.78 at.% every virtual 10 atoms of calcium, whereas Er was kept fixed at 0.39 at.%. Spectroscopic, thermal, and in vitro biocompatibility testing were performed on the generated samples. Theoretical calculations were carried out to compute the energy bandgap, density of states, and linear absorption coefficient. The effects of Y concentration on thermal, morphological, and structural parameters were investigated in detail. Raman and Infrared (FTIR) spectroscopies confirmed the formation of the HAp structure in the samples. Theoretical investigations indicated that the increasing amount of Y increased the density from 3.1724 g cm(-3) to 3.1824 g cm(-3) and decreased the bandgap energy from 4.196 eV to 4.156 eV, except for the sample containing 0.39 at. % of the dopant, which exhibited a decrease in the bandgap. The values of linear absorption appeared reduced with an increase in photon energy. The samples exhibited cell viability higher than 110%, which revealed excellent biocompatibility for biological applications of the prepared samples.
Electronic structure perturbation induced by fluorine substitution in methylamine: a comparative DFT, spectroscopic and molecular recognition study
(Springer Int Publ Ag, 2026) Fto, Ahmed Muhsin Mohammed Youns; Tahhan, Omar M. Saeed Younus; Abed, Mahmood Dahham Abed; Hssain, Ala Hamd; Kebiroglu, Mehmet Hanifi; Bulut, Niyazi
This study presents a comparative theoretical investigation of methylamine and fluoromethylamine to explain the electronic and spectroscopic consequences of single fluorine substitution. Geometry optimization and electronic structure calculations were carried out at the B3LYP/6-311G(d, p) level within the framework of density functional theory. Frontier molecular orbital analysis showed that fluorination significantly reduced the HOMO-LUMO energy gap, suggesting enhanced electronic reactivity of the fluorinated derivative. Global reactivity descriptors further revealed an increase in electrophilic character following fluorine substitution. Simulated NMR and UV-Vis spectra showed noticeable spectral changes associated with charge redistribution and fluorine-induced polarization effects. Molecular electrostatic potential and density of states analyses confirmed substantial change in the electronic environment of the molecule. In addition, molecular docking calculations were performed to evaluate the molecular recognition behavior of both compounds toward RhCG, providing insight into their possible interaction propensity. The results show that minimal structural modification by fluorination can induce measurable changes in the electronic structure, spectroscopic response, and exploratory molecular-recognition tendency of methylamine.
Epinephrine Compound: Unveiling Its Optical and Thermochemical Properties via Quantum Computation Methods
(Iranian Chemical Science and Technologies Association, 2023) Kareem, Rebaz Obaid; Kebiroğlu, Mehmet Hanifi; Hamad, Othman Abdulrahman; Kaygili, Omer; Bulut, Niyazi
This study employs Density Functional Theory (DFT) methodology to comprehensively investigate the structural and physicochemical characteristics of epinephrine, a molecule of physiological relevance. By employing DFT approaches, a more precise description of epinephrine's structure and properties is achieved compared to prior studies. A detailed examination of epinephrine's structure and various properties, such as the Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO), Band Gap (BG), Density of States (DOS), Fourier-Transform Infrared Spectroscopy (FT-IR), Ultraviolet (UV) absorption, and Natural Bond Orbital (NBO) analysis. Furthermore, we explore non-covalent interactions (NCI) through the examination of Reduced Density Gradient (RDG) and Molecular Electrostatic Potential (MEP) maps. Incorporating FT-IR results, we delve into the vibrational properties of epinephrine, highlighting C-H vibrations at 3700, 3176.20, and 2986.14 cm-1, along with specific vibrational modes of the benzene ring at 1558.43 and 1461.14 cm-1. Additionally, we provide a comprehensive analysis of epinephrine's thermochemical properties at temperatures ranging from 100 to 200 K under constant pressure conditions (1 atm), including optical transitions. This comprehensive investigation enhances our understanding of epinephrine's structure and properties, paving the way for a more profound comprehension of its biological and pharmacological significance. © 2023, Iranian Chemical Science and Technologies Association. All rights reserved.
Experimental and theoretical analysis of bismuth Co-doped erbium-based hydroxyapatites
(Springer, 2025) Ali, Aenas Laith; Mahmood, Bahroz Kareem; Kareem, Rebaz Obaid; Ates, Tankut; Barzinjy, Azeez A.; Bulut, Niyazi; Kaygili, Omer
This study explores the impact of bismuth (Bi) and erbium (Er) co-doping on the structural, morphological, and electronic properties of hydroxyapatites (HAp). Bi/Er co-doped HAp samples at varying concentrations were synthesized through a wet chemical process and characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM). Additionally, density functional theory (DFT) was employed to analyze band structure (BS), energy gap (Eg), density of states (DOS), and linear attenuation coefficient (LAC). Results revealed a systematic decrease in the energy gap from 4.0340 eV to 3.9222 eV with increasing Bi content, highlighting a reduced band gap energy trend as the Bi and Er concentrations increase. Higher Bi concentration also influenced the DOS and BS, and reduced crystallite size (D) across samples. Among them, the 0.26Bi-0.39Er-HAp sample exhibited the lowest crystallinity (76.56%) and smallest crystallite size (27.84 nm). This study provides valuable insights into how co-doping affects HAp properties, with potential implications for biomedical and environmental applications.
Experimental and theoretical characterization of Bi-based hydroxyapatites doped with Ce
(Elsevier Sci Ltd, 2022) Kareem, Rebaz Obaid; Kaygili, Omer; Ates, Tankut; Bulut, Niyazi; Koytepe, Suleyman; Kurucay, Ali; Ercan, Ismail
This study deals with the theoretical and experimental characterizations of Bi-based hydroxyapatites (HAps) codoped with Ce. Five samples of Bi-based HAp (at a constant amount of 0.125 at.%) with additions of the Ce in various amounts (0, 0.125, 0.25, 0.375, and 0.500 at. %) were synthesized by using the wet chemical method. The prepared samples were investigated experimentally by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, differential thermal analysis (DTA), thermogravimetric analysis (TGA), and vibrating sample magnetometer (VSM). All the samples were also modeled by using a density functional theory (DFT), and theoretical results were obtained. Both experimental and theoretical results showed that the lattice parameters and unit cell volume were significantly affected by Ce content. Calculated bandgap energy results of the samples gradually reduced from 4.6308 eV to 4.5299 eV. The bandgap decreased with increasing Ce content, and the densities of states (DOS) values were also affected by the amount of Ce. It was found that the sample doped with 0.500 at. % Ce showed the best biocompatibility among all the as-synthesized samples. The linear absorption coefficient increased with increasing amounts of Ce in all samples, while this parameter decreased with increasing photon energy. The density increases with the increasing Ce content ranging from 3.1615 g cm-3 to 3.1772 g cm- 3. Both crystallite size and crystallinity decreased gradually with the increasing amount of Ce. FTIR and Raman spectra confirm the formation of the HAp structure for all the samples.
Experimental and theoretical characterization of Dy-doped hydroxyapatites
(Springer, 2023) Isen, Fatih; Kaygili, Omer; Bulut, Niyazi; Ates, Tankut; Osmanlioglu, Fatih; Keser, Serhat; Kareem, Rebaz Obaid
The effects of adding Dy to the hydroxyapatite (HAp) structure were investigated experimentally and theoretically. The as-obtained experimental results with an increasing amount of Dy are as follows. X-ray diffraction, Raman, and Fourier transform infrared measurements verified the HAp structure for each specimen. The crystallinity, lattice parameters, lattice stress, strain, and anisotropic energy density were affected. Thermal stability and stoichiometry were not affected. It was observed that all the Dy-doped HAps have smaller crystallite size values compared to the un-doped HAp. The cell viability obtained from mouse fibroblast cell (L929) was higher than 82%, indicating all the samples were biocompatible. The theoretical findings, obtained from the density functional theory (DFT) calculations, exhibited a continuous decrease in the bandgap from 4.7109 to 3.7982 eV, an increase in the density from 3,155 to 3,189 kg m(-3), and an increase in the linear absorption coefficient.
Experimental characterization and theoretical investigation of Ce/Yb co-doped hydroxyapatites
(Elsevier Science Sa, 2022) Acar, Serdar; Kaygili, Omer; Ates, Tankut; Dorozhkin, Sergey, V; Bulut, Niyazi; Ates, Burhan; Hssain, Ala Hamd
In the present study, the effects of variable amounts of Yb addition on the structural, thermal, and in vitro biocompatibility properties of Ce-doped hydroxyapatite (HAp) samples synthesized via the wet chemical method were investigated. Besides, the prepared formulations were also modeled for making the theoretical investigations. The single-phase compositions were detected for all samples, and no formation of additional phases was observed. Doping with Yb was observed to produce some variations in the lattice parameters, unit cell volume, lattice strain, and lattice stress. While a decreasing trend in the crystallite size and crystallization percent with increasing Yb content was found, a gradual increase in the anisotropic energy density was observed. All samples were found to be thermally stable from room temperature to 1000 degrees C with negligible mass losses during heating. No significant morphological changes were caused by the addition of Yb. For all samples, the numerical values of (Ca + Ce + Yb)/P molar ratio were found to be close to that for stoichiometric HAp (1.67). It was observed that the increased Yb additive caused a decrease in cell viability values. A continuous decrease in the bandgap energy with the increasing amounts of Yb added to the Ce-based HAp structure was observed from the theoretical investigations. A sharp decrease in the cell viability of the Ce-based HAp was observed with the addition of Yb.
Experimental characterization and theoretical investigation of Zn/Sm co-doped hydroxyapatites
(Elsevier, 2022) Hssain, Ala Hamd; Bulut, Niyazi; Ateş, Tankut; Köytepe, Süleyman; Kuruçay, Ali; Kebiroğlu, Hanifi; Kaygılı, Ömer
In this study, the wet chemical method was used to synthesize Zn-doped hydroxyapatite (HAp) samples, and the effects of varying the amount of Sm addition on structural, thermal, and biocompatibility in vitro properties were studied. In addition, a density functional theory was used for modeling the as-synthesized samples to obtain the theoretical calculation results. XRD results confirmed the formation of biphasic compositions for all samples, and FTIR data supported the formation of the functional groups of hydroxyl and phosphate. More than 98% of samples showed the formation of the HAp phase. The addition of Sm resulted in an increase in the secondary phase of the ?-TCP from 0.60% to 1.49%. The lattice parameters (aandc),unit cell volume (V), lattice strain(?), and lattice stress? varied when Sm was added as a dopant. The crystallite size and crystallinity decreased as the Sm content increased, however, the anisotropic energy density gradually increased. Thermal analysis results confirmed that all samples seemed to be thermally stable. The addition of Sm did not result in any notable morphological modifications. Cell viability values of theZn-based HAp sharply decreased as a result of an increase in the Sm additive. Theoretical studies show that when the amount of Sm in the Zn-based HAp structure increases, the bandgap energy decreases from 4.68 to 4.40eV. An increasing density and decreasing unit cell volume have been observed, as confirmed by the theoretical results. In addition, there was a decrease in crystallinity as well as an increase in anisotropic energy density.
Exploring Electronic and Structural Properties of Titanium-Doped Chlorapatite: A Theoretical and Experimental Investigation
(Niyazi BULUT, 2023) Keser, Serhat; Ateş, Tankut; Bulut, Niyazi; Kaygılı, Omer
[Abstract Not Available]
Exploring the electronic band structure, spectroscopic signatures, and structural properties of Er3+-based hydroxyapatites co-doped with Ce3+ions
(Elsevier, 2023) Ahmed, Lana Omar; Bulut, Niyazi; Banares, Luis; Kaygili, Omer; Kebiroglu, Hanifi; Ates, Tankut; Ates, Burhan
In this work, we have investigated Ce3+ and Er3+ co-doped hydroxyapatite (HAp) structures both theoretically and experimentally for the first time. The Ce3+ content was incrementally varied in steps of 0.13 at. %, ranging from 0.13 at. % to 0.78 at. %. Meanwhile, the Er3+ content remained constant at 0.39 at. % for all samples. We employed X-ray diffraction, Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy, thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry, and in vitro biocompatibility tests to examine the prepared samples. Our findings demonstrate that the thermal behavior, morphology, and other crystal structure-related parameters are significantly influenced by the con-centration of Ce3+. The formation of HAp structures was confirmed through FTIR and Raman spectroscopic analyses. Furthermore, we conducted theoretical calculations to determine the linear absorption coefficient, density of states, and bandgap. These calculations revealed that the addition of Ce3+ atoms at varying concen-trations resulted in an increase in density from 3.174 to 3.195 g cm-3, while the bandgap gradually decreased from 4.16 to 4.10 eV, except for the 0.26Ce-0.39Er-HAp and 0.52Ce-0.39Er-HAp compositions, where the energy bandgap exhibited an increase.
Exploring the Influence of Various Solvents on the Structural, Optical, and Spectroscopic Properties of MgO
(TUBITAK, 2024) Mohammed, Bast Ahmed; Kareem, Rebaz Obaid; Bulut, Niyazi; Demirci, Tuna; Elibol, Erdem; Ercan, Filiz; Kaygili, Omer
Magnesium oxide (MgO) samples were manufactured at different temperatures using various solvents of water and ethanol. MgO structure was also modeled and its vibration modes were calculated. The kind of solvent as-used in the synthesis and calcination temperature caused changes in the lattice parameter, crystallinity, and crystallite size. The crystallite size increased with increasing production temperature for both series of the MgO. The morphology and bandgap energy were also affected significantly by the solvent and calcination temperature. © 2024, TUBITAK. All rights reserved.
Fe ve Ti katkılı Çift Fazlı Kalsiyum Fosfatların Sentez ve Karakterizasyonu
(Malatya Turgut Özal Üniversitesi, 2021) Ateş, Tankut; İnce,Turan; Acar, Serdar; Kaygılı, Ömer; Bulut, Niyazi; Keser,Serhat; Köytepe, Süleyman
Bu çalışmada, Ti katkısının Fe esaslı çift fazlı kalsiyum fosfat malzemelerinin yapısal, morfolojik ve termal özellikleri üzerine etkileri araştırılmıştır. X-ışını kırınımı (XRD) analizi, üretilen numunelerin hem hidroksiapatit (HAp) hem de beta trikalsiyum fosfat (?-TCP) fazlarına sahip olduğunu doğrulamaktadır. Ayrıca, Ti katkısındaki artışla ?-TCP fazının miktarının arttığı görülmektedir. Fourier dönüşümlü kızılötesi (FTIR) spektroskopisi sonuçları, numunelerdeki karakteristik fonksiyonel grupların varlığını doğrulamaktadır. Ti miktarı morfolojiyi etkilemektedir. Numunelerin ısıl davranışları birbirine benzerdir ve oda sıcaklığından 1000 °C’ye kadar tüm numuneler termal olarak kararlıdırlar. Bu sıcaklık aralığında numunelerdeki kütle kayıpları % 1,63’e eşit veya altındadır.

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