Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 1Citation - Scopus: 1Inhibition of Caco3 Growth and Synthesis of Submicron Particles by Preferential Adsorption of Additive Ca2+ Ions on Fresh Precipitates(Royal Society of Chemistry, 2022) Majekodunmi, Olukayode T.; Kılıç Özdemir, Sevgi; Özdemir, EkremThis study demonstrates a method to inhibit the growth of CaCO3 and synthesize submicron particles in a chemical precipitation process under ambient and high supersaturation conditions. Equimolar CaCl2 and Na2CO3 solutions were mixed in a model tubular reactor at a constant flow rate, and the precipitates were continuously dispersed in stirred 250 mL of 10 mM Ca(OH)2 solution. This approach resulted in the synthesis of colloidally stable submicron CaCO3 particles for a precipitant concentration ≤75 mM. Varying the precipitates’ retention time in the tubular reactor had no significant effects on the particle size and colloidal stability. Time-dependent changes in the mean size, crystal form, morphology and specific surface area of the synthesized particles were also studied. For a precipitant concentration of 75 mM, the particles were monodispersed and porous spindle-like scalenohedral crystals which gradually grew in all faces as more precipitates were fed into the Ca(OH)2 solution. The mean hydrodynamic size of the particles was ∼850 nm at the 8th minute. However, in the absence of additive Ca2+ ions, the particles obtained at the 8th minute were polydisperse mixtures of vaterite and rhombohedral calcite particles greater than 4 μm in size. The results show that free additive Ca2+ ions are irreversibly adsorbed onto the particles as the precipitates dissolve and recrystallize into smaller crystals upon reaching the Ca(OH)2 solution.Article Citation - WoS: 13Citation - Scopus: 15Electronic and Magnetic Properties of Single-Layer Fecl2 With Defects(Amer Physical Soc, 2021) Ceyhan, Eray; Yağmurcukardeş, Mehmet; Peeters, François M.; Şahin, HasanThe formation of lattice defects and their effect on the electronic properties of single-layer FeCl2 are investigated by means of first-principles calculations. Among the vacancy defects, namely mono-, di-, and three-Cl vacancies and mono-Fe vacancy, the formation of mono-Cl vacancy is the most preferable. Comparison of two different antisite defects reveals that the formation of the Fe-antisite defect is energetically preferable to the Cl-antisite defect. While a single Cl vacancy leads to a 1 mu(B) decrease in the total magnetic moment of the host lattice, each Fe vacant site reduces the magnetic moment by 4 mu(B). However, adsorption of an excess Cl atom on the surface changes the electronic structure to a ferromagnetic metal or to a ferromagnetic semiconductor depending on the adsorption site without changing the ferromagnetic state of the host lattice. Both Cl-antisite and Fe-antisite defected domains change the magnetic moment of the host lattice by -1 mu(B) and +3 mu(B), respectively. The electronic ground state of defected structures reveals that (i) single-layer FeCl2 exhibits half-metallicity under the formation of vacancy and Cl-antisite defects; (ii) ferromagnetic metallicity is obtained when a single Cl atom is adsorbed on upper-Cl and Fe sites, respectively; and (iii) ferromagnetic semiconducting behavior is found when a Cl atom is adsorbed on a lower-Cl site or a Fe-antisite defect is formed. Simulated scanning electron microscope images show that atomic-scale identification of defect types is possible from their electronic charge density. Further investigation of the periodically Fe-defected structures reveals that the formation of the single-layer FeCl3 phase, which is a dynamically stable antiferromagnetic semiconductor, is possible. Our comprehensive analysis on defects in single-layer FeCl2 will complement forthcoming experimental observations.