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: 8Citation - Scopus: 9Cesium Manganese Chloride: Stable Lead-Free Perovskite From Bulk To Single Layer(Elsevier, 2021) Sözen, Yiğit; Özen, Sercan; Şahin, HasanMotivated by the recent advances in perovskite-based solar cells, here we investigate stability, electronic properties and vibrational characteristics of lead-free perovskite, CsMnCl3, and its low dimensional forms by means of first-principles calculations. Structural optimizations reveal that, regardless of whether it is bulk or ultra-thin single layer cubic perovskite structure, CsMnCl3 crystal exhibit robust antiferromagnetism in its ground state due to oppositely aligned magnetic moments of Mn atoms. In addition to total energy calculations, phonon band dispersions indicate that CsMnCl3 structure sustains its dynamical stability down to its thinnest single layer crystal structures. The calculated Raman spectrums state that while the first-order Raman scattering is forbidden for bulk CsMnCl3 due to the cubic symmetry; dimensional-reduction-driven symmetry breaking leads to emergence of experimentally-observable distinctive Raman active modes in bilayer and single-layer crystal structures. Moreover, the electronic band dispersions reveal that from its bulk to ultra-thin single layer structures CsMnCl3 crystals are robust antiferromagnetic insulators. Multiple valid features like controllable dimensionality, robust antiferromagnetism and wide electronic band gap make cubic CsMnCl3 crystal as a potential candidate for nano-scale optoelectronic applications.Article Citation - WoS: 21Citation - Scopus: 21Graphene-Supported Lafeo3 for Photocatalytic Hydrogen Energy Production(Wiley, 2021) Orak, Ceren; Yüksel, AslıHydrogen is a green, environmentally benign and sustainable energy source with no harmful combustion products to fulfil the increasing energy demand. Photocatalytic oxidation has various advantageous to produce hydrogen from different sources such as wastewater, alcohol solutions using different types of catalysts. Sucrose solution was chosen as a model solution to evolve hydrogen using LFO and GLFO catalysts under solar light irradiation, and graphene was used as a catalyst support to enhance the amount of produced hydrogen amount. A characterization study, which consists of SEM-EDX, BET, XRD, PL, TEM, XPS and FT-IR analyses, was carried out. A full factorial design was created via Minitab 18 to analyse the factors affecting the produced hydrogen amount, which are pH, catalyst loading, H2O2 concentration and graphene content statistically. Based on the results, graphene content is an important parameter and pH and H2O2 concentration have a synergetic effect over hydrogen production. Additionally, the effects of calcination temperature, pH, H2O2 concentration and catalyst loading over produced gases were investigated. The best promising result was obtained as 3388 mu mol/g(cat) at the following reaction conditions: 7.5 of pH, 0.1 g L-1 catalyst loading (GLFO, which is calcined at 700 degrees C) and using 15 mM H2O2 under solar light irradiation. Novelty Statement Hydrogen is produced from sucrose solution with low cost process requiring no special equipment, high pressure or temperature. First study that uses perovskite catalysts for the production of hydrogen from sucrose solution by photo-Fenton like oxidation GLFO is a promising photocatalyst for H-2 production by solar-Fenton like oxidation with the highest H-2 evaluation at 3388.34 mu mol/g(cat).Article Citation - WoS: 89Citation - Scopus: 85Cspbbr3 Perovskites: Theoretical and Experimental Investigation on Water-Assisted Transition From Nanowire Formation To Degradation(American Physical Society, 2018) Akbalı, Barış; Topçu, Gökhan; Güner, Tuğrul; Özcan, Mehmet; Demir, Mustafa Muammer; Şahin, HasanRecent advances in colloidal synthesis methods have led to an increased research focus on halide perovskites. Due to the highly ionic crystal structure of perovskite materials, a stability issue pops up, especially against polar solvents such as water. In this study, we investigate water-driven structural evolution of CsPbBr3 by performing experiments and state-of-the-art first-principles calculations. It is seen that while an optical image shows the gradual degradation of the yellowish CsPbBr3 structure under daylight, UV illumination reveals that the degradation of crystals takes place in two steps: transition from a blue-emitting to green-emitting structure and and then a transition from a green-emitting phase to complete degradation. We found that as-synthesized CsPbBr3 nanowires (NWs) emit blue light under a 254 nm UV source. Before the degradation, first, CsPbBr3 NWs undergo a water-driven structural transition to form large bundles. It is also seen that formation of such bundles provides longer-term environmental stability. In addition theoretical calculations revealed the strength of the interaction of water molecules with ligands and surfaces of CsPbBr3 and provide an atomistic-level explanation to a transition from ligand-covered NWs to bundle formation. Further interaction of green-light-emitting bundles with water causes complete degradation of CsPbBr3 and the photoluminescence signal is entirely quenched. Moreover, Raman and x-ray-diffraction measurements revealed that completely degraded regions are decomposed to PbBr2 and CsBr precursors. We believe that the findings of this study may provide further insight into the degradation mechanism of CsPbBr3 perovskite by water.