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: 171Citation - Scopus: 169Janus Single Layers of In2sse: a First-Principles Study(American Physical Society, 2018) Kandemir, Ali; Şahin, HasanBy performing first-principles calculations, we propose a stable direct band gap semiconductor Janus single-layer structure, In2SSe. The binary analogs of the Janus structure, InS and InSe single layers are reviewed to evince the structural and electronic relation with In2SSe. The structural optimization calculations reveal that a Janus In2SSe single layer has hexagonal geometry like the InS and InSe single layers, which are also its structural analogs. The Janus single layer is dynamically stable, as indicated by the phonon spectrum. The electronic band diagram of the Janus structure shows that an In2SSe single layer is a direct band gap semiconductor, in contrast to its analogs, InS and InSe single layers, which are indirect band gap semiconductors. Nevertheless, it is found that the strain effect on electronic properties of the InS and InSe single layers designates the electronic structure of the Janus single layer. A rough model for the construction of the electronic band diagram of the Janus structures is discussed, and it is indicated that the difference in work functions of chalcogenide sides in the Janus structure determines the construction of the electronic structure. It is found that the Janus structure is a robust direct gap semiconductor under tolerable strain; for that reason, the Janus In2SSe single layer is a candidate for optoelectronic nanodevice 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: 10Citation - Scopus: 11Single layer PbI2: Hydrogenation-driven reconstructions(Royal Society of Chemistry, 2016) Bacaksız, Cihan; Şahin, HasanBy performing density functional theory-based calculations, we investigate how a hydrogen atom interacts with the surfaces of monolayer PbI2 and how one- and two-side hydrogenation modifies its structural, electronic, and magnetic properties. Firstly, it was shown that the T-phase of single layer PbI2 is energetically more favorable than the H-phase. It is found that hydrogenation of its surfaces is possible through the adsorption of hydrogen on the iodine sites. While H atoms do not form a particular bonding-type at low concentration, by increasing the number of hydrogenated I-sites well-ordered hydrogen patterns are formed on the PbI2 matrix. In addition, we found that for one-side hydrogenation, the structure forms a (2 × 1) Jahn-Teller type distorted structure and the bandgap is dramatically reduced compared to hydrogen-free single layer PbI2. Moreover, in the case of full hydrogenation, the structure also possesses another (2 × 2) reconstruction with a reduction in the bandgap. The easily tunable electronic and structural properties of single layer PbI2 controlled by hydrogenation reveal its potential uses in nanoscale semiconducting device applications.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: 60Citation - Scopus: 64Improvement of Optical and Electrical Properties of Ito Thin Films by Electro-Annealing(Elsevier Ltd., 2015) Köseoğlu, Hasan; Türkoğlu, Fulya; Kurt, Metin; Yaman, Mutlu Devran; Akça, Fatime Gülşah; Aygün, Gülnur; Özyüzer, LütfiThe effect of electro-annealing in vacuum and air on the optical and electrical properties of ITO thin films grown by large area DC magnetron sputtering was investigated. Moreover, the performances of the electro-annealed ITO thin films in vacuum and air were compared. Electro-annealing was performed by applying 0.75, 1.00, 1.25 and 1.50 A constant ac current to the ITO thin films. It was observed that the crystallinity of the films was better for the ITO thin films electro-annealed in vacuum. The changes in sheet resistance of electro-annealed ITO thin films with applied currents were detailed. The transmittance of the films increased for both electro-annealing in vacuum and air. A correlation between band-gap and resistivity for all of the electro-annealed thin films was observed.Article Citation - WoS: 12Citation - Scopus: 12High Transmission Through a 90° Bend in a Polarization-Independent Single-Mode Photonic Crystal Waveguide(The Optical Society, 2015) Erol, Adem Enes; Sözüer, Hüseyin SamiWe propose a polarization-independent single-mode waveguide, using a two-dimensional square photonic crystal with a complete band gap. The waveguide is tuned such that both TE and TM modes have the same group velocity and zero group velocity dispersion at the centergap frequency. We also present results for a 90° bend with transmission values of 98% for both modes.Article Citation - WoS: 47Citation - Scopus: 49Simultaneous Identification of Spectral Properties and Sizes of Multiple Particles in Solution With Subnanometer Resolution(John Wiley and Sons Inc., 2016) Karabudak, Engin; Brookes, Emre; Lesnyak, Vladimir; Gaponik, Nikolai; Eychmüller, Alexander; Walter, Johannes; Segets, Doris; Peukert, Wolfgang; Wohlleben, Wendel; Demeler, Borries; Cölfen, HelmutWe report an unsurpassed solution characterization technique based on analytical ultracentrifugation, which demonstrates exceptional potential for resolving particle sizes in solution with sub-nm resolution. We achieve this improvement in resolution by simultaneously measuring UV/Vis spectra while hydrodynamically separating individual components in the mixture. By equipping an analytical ultracentrifuge with a novel multi-wavelength detector, we are adding a new spectral discovery dimension to traditional hydrodynamic characterization, and amplify the information obtained by orders of magnitude. We demonstrate the power of this technique by characterizing unpurified CdTe nanoparticle samples, avoiding tedious and often impossible purification and fractionation of nanoparticles into apparently monodisperse fractions. With this approach, we have for the first time identified the pure spectral properties and band-gap positions of discrete species present in the CdTe mixture.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: 72Citation - Scopus: 80Electronic, Phononic, and Thermoelectric Properties of Graphyne Sheets(American Institute of Physics, 2014) Sevinçli, Haldun; Sevik, CemElectron, phonon, and thermoelectric transport properties of α-, β-, γ-, and 6,6,12-graphyne sheets are compared and contrasted with those of graphene. α-, β-, and 6,6,12-graphynes, with direction dependent Dirac dispersions, have higher electronic transmittance than graphene. γ-graphyne also attains better electrical conduction than graphene except at its band gap. Vibrationally, graphene conducts heat much more efficiently than graphynes, a behavior beyond an atomic density differences explanation. Seebeck coefficients of the considered Dirac materials are similar but thermoelectric power factors decrease with increasing effective speeds of light. γ-graphyne yields the highest thermoelectric efficiency with a thermoelectric figure of merit as high as ZT-=-0.45, almost an order of magnitude higher than that of graphene.Article Citation - WoS: 19Citation - Scopus: 25Large Energy Gaps in Ca C6 From Tunneling Spectroscopy: Possible Evidence of Strong-Coupling Superconductivity(American Physical Society, 2007) Kurter, Cihan; Özyüzer, Lütfi; Mazur, Daniel; Zasadzinski, John F.; Rosenmann, Daniel; Claus, Helmut; Hinks, David G.; Gray, Kenneth E.Tunneling in Ca C6 crystals reproducibly reveals superconducting gaps Δ of 2.3±0.2 meV that are ∼40% larger than reported earlier. In an isotropic s -wave scenario, that puts Ca C6 into the class of very strongly coupled superconductors, since 2Δ k Tc ∼4.6, implying that soft Ca phonons are primarily involved in the superconductivity. This conclusion explains the relatively large Ca isotope effect found recently for Ca C6, but it could also signal a strong anisotropy in the electron-phonon interaction.