Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
Browse
5 results
Search Results
Article Citation - WoS: 4Citation - Scopus: 4Identification of a Magnetic Phase Via a Raman Spectrum in Single-Layer Mnse: an Ab Initio Study(Elsevier, 2022) Yayak, Yankı Öncü; Şahin, Hasan; Yağmurcukardeş, MehmetMotivated by the recent experimental realization of single-layer two-dimensional MnSe [ACS Nano2021, 15, 13794-13802], structural, magnetic, elastic, vibrational, and electronic properties of single-layer MnSe are investigated by using density functional theory-based calculations. Among four different magnetic phases, namely, ferromagnetic (FM) and Nẽel-, zigzag-, and stripy-antiferromagnetic (AFM) phases, the Nẽel-AFM structure is found to be the energetically most favorable phase. Structural optimizations show the formation of in-plane anisotropy within the structures of zigzag- and stripy-AFM phases in single-layer MnSe. For the dynamically stable four magnetic phases, predicted Raman spectra reveal that each phase exhibits distinctive vibrational features and can be distinguished from each other. In addition, the elastic constants indicate the mechanical stability of each magnetic phase in single-layer MnSe and reveal the soft nature of each phase. Moreover, electronic band dispersion calculations show the indirect band gap semiconducting nature with varying electronic band gap energies for all magnetic phases. Furthermore, the atomic orbital-based density of states reveals the existence of out-of-plane orbitals dominating the top valence states in zigzag- and stripy-AFM phases, giving rise to the localized states. The stability of different magnetic phases and their distinct vibrational and electronic properties make single-layer MnSe a promising candidate for nanoelectronic and spintronic applications.Article Citation - WoS: 15Citation - Scopus: 21Triboluminescent Electrospun Mats With Blue-Green Emission Under Mechanical Force(American Chemical Society, 2017) İncel, Anıl; Varlıklı, Canan; McMillen, Colin D.; Demir, Mustafa MuammerFibrous mechanosensing elements can provide information about the direction of crack propagation and the mechanism of material failure when they are homogeneously dispersed into the bulk volume of materials. A fabrication strategy of fibrous systems showing triboluminescent (TL) responses is in high demand for such applications. In this work, micrometer-sized Cu(NCS)(py)2(PPh3) crystals were synthesized, and polymeric fibrous mats containing the TL crystals were obtained via electrospinning as a stress probe for the determination of mechanical impact. Four different polymeric systems have been employed (PMMA, PS, PU, and PVDF), and the mechano-optical sensing performance of electrospun mats of the polymer-crystal composites was measured. Photophysical properties (quantum yield, band gap, and broadness of the emission) of the TL crystal/electrospun mat composites were also studied. TL and PL emission maxima of the PU-based composite mat show identical behavior due to the chemical affinity between the two structures and the smallest fiber diameter. Moreover, the PU fiber mats exhibit long-lived bluish-green emission persisting over a large number of drops.Article Citation - WoS: 63Citation - Scopus: 64Vacancy Formation and Oxidation Characteristics of Single Layer Tis3(American Chemical Society, 2015) İyikanat, Fadıl; Şahin, Hasan; Senger, Ramazan Tugrul; Peeters, François M.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.Article Citation - WoS: 42Citation - Scopus: 44Growth of Cu2znsns4 Absorber Layer on Flexible Metallic Substrates for Thin Film Solar Cell Applications(Elsevier Ltd., 2015) Yazıcı, Şebnem; Olgar, Mehmet Ali; Akça, Fatime Gülşah; Cantaş, Ayten; Kurt, Metin; Aygün, Gülnur; Tarhan, Enver; Yanmaz, Ekrem; Özyüzer, LütfiIn this work, Cu2ZnSnS4 (CZTS) absorber layers were fabricated using a two-stage process. Sequentially deposited Cu-Zn-Sn thin film layers on metallic foils were annealed in an Ar + S2(g) atmosphere. We aimed to investigate the role of flexible titanium and molybdenum foil substrates in the growth mechanism of CZTS thin films. The Raman spectra and X-ray photoelectron spectroscopy analyses of the sulfurized thin films revealed that, except for the presence of Sn-based secondary phases, nearly pure CZTS thin films were obtained. Additionally, the intense and sharp X-ray diffraction peak from the (112) plane provided evidence of good crystallinity. Electron dispersive spectroscopy analysis indicated sufficient sulfur content but poor Zn atomic weight percentage in the films. Absorption and band-gap energy analyses were carried out to confirm the suitability of CZTS thin films as the absorber layer in solar cell applications. Hall effect measurements showed the p-type semiconductor behavior of the CZTS samples. Moreover, the back contact behavior of these metallic flexible substrates was investigated and compared. We detected formation of cracks in the CZTS layer on the molybdenum foils, which indicates the incompatibility of molybdenum's thermal expansion coefficient with the CZTS structure. We demonstrated the application of the magnetron sputtering technique for the fabrication of CZTS thin films on titanium foils having lightweight, flexible properties and suitable for roll-to-roll manufacturing for high throughput fabrication. Titanium foils are also cost competitive compared to molybdenum foils. © 2015 Elsevier B.V.Article Citation - WoS: 1Citation - Scopus: 1Modification of Al-Oxide Tunnel Barriers With Organic Self-Assembled Monolayers(American Institute of Physics, 1999) Okur, Salih; Zasadzinski, John F.Al-oxide tunneling barriers were modified by exposure to a vapor of n-octadecyltrimethoxysilane which forms self-assembled monolayers. The dynamic conductance dI/dV of the modified Al-oxide barrier between Al and Pb electrodes was measured at 4.2 K. Quasilinear conductance backgrounds are observed up to 200 mV with a strength that increases with increasing exposure time from 10 to 60 min. A saturation effect is observed around 200 mV. Beyond 200 mV the dynamic conductance shows a parabolic behavior indicative of elastic tunneling from an asymmetric barrier. The linear background is attributed to inelastic tunneling from a continuum of excitations