Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

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Publisher: search.filters.publisher.American Chemical SocietySubject: search.filters.subject.Transition metals

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  • Article
    Citation - WoS: 9
    Citation - Scopus: 18
    Improvement of Photophysical Properties of Cspbbr3 and Mn2+:cspb(br,cl)(3) Perovskite Nanocrystals by Sr2+ Doping for White Light-Emitting Diodes
    (American Chemical Society, 2022) Yüce, Hürriyet; Mandal, Mukunda; Demir, Mustafa Muammer; Yüce, Hürriyet; Demir, Mustafa Muammer; 03.09. Department of Materials Science and Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
    All-inorganic metal halide perovskite nanocrystals (NCs) having the general formula ABX(3), where A is a monovalent cation, for example, Cs+, B is a divalent cation, typically Pb2+, and X is Cl-, Br-, I-, or their binary mixture, show potential in optoelectronic devices. In this work, we explore the effect of B-site doping on the optoelectronic properties of CsPbX3 NCs (X = Br, Cl). First, the Pb2+ ions in the pristine CsPbBr3 NC are partially substituted by Mn2+ ions. The alkaline earth metal strontium is then doped on both pristine and the Mn2+-substituted NCs. We found that a small percentage of Sr2+ doping remarkably improves the photoluminescence quantum yield of CsPbBr3 and Mn2+-state emission in Mn2+:CsPb(Br,Cl)(3) NCs. Perovskite NC film/ poly(methyl methacrylate) composites with all four NC variants were used in a white light-emitting diode (WLED), where Sr2+ doping increased the luminous efficiency of the WLED by similar to 4.7%. We attribute this performance enhancement to a reduced defect density and an attenuated microstrain in the local NC structure.
  • Article
    Citation - WoS: 63
    Citation - Scopus: 64
    Vacancy Formation and Oxidation Characteristics of Single Layer Tis3
    (American Chemical Society, 2015) İyikanat, Fadıl; Şahin, Hasan; Senger, Ramazan Tuğrul; Peeters, François M.; Şahin, Hasan; 04.04. Department of Photonics; 04.05. Department of Pyhsics; 04. Faculty of Science; 01. Izmir Institute of Technology
    The structural, electronic, and magnetic properties of pristine, defective, and oxidized monolayer TiS3 are investigated using first-principles calculations in the framework of density functional theory. We found that a single layer of TiS3 is a direct band gap semiconductor, and the bonding nature of the crystal is fundamentally different from other transition metal chalcogenides. The negatively charged surfaces of single layer TiS3 makes this crystal a promising material for lubrication applications. The formation energies of possible vacancies, i.e. S, Ti, TiS, and double S, are investigated via total energy optimization calculations. We found that the formation of a single S vacancy was the most likely one among the considered vacancy types. While a single S vacancy results in a nonmagnetic, semiconducting character with an enhanced band gap, other vacancy types induce metallic behavior with spin polarization of 0.3-0.8 μB. The reactivity of pristine and defective TiS3 crystals against oxidation was investigated using conjugate gradient calculations where we considered the interaction with atomic O, O2, and O3. While O2 has the lowest binding energy with 0.05-0.07 eV, O3 forms strong bonds stable even at moderate temperatures. The strong interaction (3.9-4.0 eV) between atomic O and TiS3 results in dissociative adsorption of some O-containing molecules. In addition, the presence of S-vacancies enhances the reactivity of the surface with atomic O, whereas it had a negative effect on the reactivity with O2 and O3 molecules.