WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7150
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Article Citation - WoS: 14Citation - Scopus: 14Hydrogen-Induced Sp2-Sp3 Rehybridization in Epitaxial Silicene(American Physical Society, 2017) Solonenko, Dmytro; Dzhagan, Volodymyr; Cahangirov, Seymur; Bacaksız, Cihan; Şahin, Hasan; Zahn, Dietrich R. T.; Vogt, PatrickWe report on the hydrogenation of (3×3)/(4×4) silicene epitaxially grown on Ag(111) studied by in situ Raman spectroscopy and state-of-the-art ab initio calculations. Our results demonstrate that hydrogenation of (3×3)/(4×4) silicene leads to the formation of two different atomic structures which exhibit distinct spectral vibrational modes. Raman selection rules clearly show that the Si atoms undergo a rehybridization in both cases from a mixed sp2-sp3 to a dominating sp3 state increasing the distance between the two silicene sublattices. This results in a softening of the in-plane and a stiffening of the out-of-plane phonon modes. Nevertheless, hydrogenated epitaxial silicene retains a two-dimensional nature and hence can be considered as epitaxial silicane. The level of hydrogenation can be determined by the intensity ratio of the Raman modes with different symmetries.Article Citation - WoS: 7Citation - Scopus: 8Hydrogenation-driven phase transition in single-layer TiSe2(IOP Publishing Ltd., 2017) İyikanat, Fadıl; Kandemir, Ali; Özaydın, H. Duygu; Senger, Ramazan Tuğrul; Şahin, HasanFirst-principles calculations based on density-functional theory are used to investigate the effects of hydrogenation on the structural, vibrational, thermal and electronic properties of the charge density wave (CDW) phase of single-layer TiSe2. It is found that hydrogenation of single-layer TiSe2 is possible through adsorption of a H atom on each Se site. Our total energy and phonon calculations reveal that a structural phase transition occurs from the CDW phase to the T d phase upon full hydrogenation. Fully hydrogenated TiSe2 presents a direct gap semiconducting behavior with a band gap of 119 meV. Full hydrogenation also leads to a significant decrease in the heat capacity of single-layer TiSe2.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: 4Citation - Scopus: 4Effects of Catalyst Precursor Type and Preparation Conditions, and Solvent Type on Activity and Selectivity of Pt/Sio2 Catalyst in Citral Hydrogenation(Walter de Gruyter GmbH, 2011) Depboylu, Can Okan; Yılmaz, Selahattin; Akkurt, SedatIn this study, citral hydrogenation reaction in liquid phase over silica gel supported Pt catalysts was investigated. It was desired to hydrogenate carbonyl group selectively to produce valuable unsaturated alcohols, namely geraniol and nerol. Pt/SiO2 catalysts were prepared by impregnation method. The effects of parameters investigated in the present study included Pt precursor type (hexachloroplatinic acid (HCLPA), platinum II acetylacetonate (PAA)), catalyst activation temperature (350°C and 450°C), catalyst activation without calcination, catalyst washing with 0.1 M NaOH and solvent type (ethanol, 2-pentanol). The catalysts activities and selectivities were affected by the type of precursor and activation temperature. The maximum citral conversion (89.50 percent) was achieved at lower activation temperature (350°C) with PAA precursor based catalyst. It was observed that higher activation temperature provided lower citral conversion but higher selectivity to unsaturated alcohols; increasing the activation temperature to 450°C decreased citral conversion to 26.10 percent. But selectivity to unsaturated alcohols, geraniol and nerol, increased from 7.06 to 54.60 percent. Catalyst washing and 2-pentanol prevented acetal formation. Catalyst activation without calcination gave lower citral conversion (20.84 percent) and selectivity to unsaturated alcohols (30.00 percent). Copyright © 2011 The Berkeley Electronic Press. All rights reserved.Article Citation - WoS: 9Citation - Scopus: 10Hydrogenation of Citral Over Ni and Ni-Sn Catalysts(TUBITAK, 2008) Aykaç, Hilal; Yılmaz, SelahattinLiquid phase citral hydrogenation over zeolite-supported monometallic Ni and bimetallic Ni-Sn catalysts was studied. The zeolite support materials were Na-Y, Na-mordenite, and clinoptilolite. Ni and Sn contents of the monometallic and bimetallic catalysts were 8.1-9.2 wt% and 0.46 wt%, respectively. The type of the zeolite support affected the activity and selectivity of the catalysts differently. The main product of the citral hydrogenation reaction was citronellal, for both monometallic (84.5% yield) and bimetallic (44.5% yield) catalysts. The addition of promoter increased the selectivity to unsaturated alcohols (geraniol+nerol), i.e. it changed from 0.9% to 6.3% over mordenite and from 0.9% to 2.1% over Na-Y-supported catalysts. Furthermore, activity of the Ni catalysts decreased while the quantity of acetal remained almost constant. Intimate contact between active metal, promoter, and support, and a catalyst with a high concentration of weak acid sites gave high selectivity to geraniol+nerol.Article Citation - WoS: 3Citation - Scopus: 3Hydrogenation of Citral Over Pt and Pt-Sn Catalysts(TUBITAK, 2008) Aykaç, Hilal; Yılmaz, SelahattinHydrogenation of citral on monometallic (Pt) and bimetallic (Pt-Sn) catalysts was investigated. It was found that the catalyst activities and product distributions were different over Na-Y and Clino supports. Among monometallic catalysts, Pt/Na-Y was more selective to citronellol (3.9%) and unsaturated alcohols, geraniol and nerol, (14.1%). Sn addition increased the catalyst activities. However, its effect on product distribution differed. Yield of geraniol+nerol changed from 5.1% to 19.7% over Clino. However, selectivity to unsaturated alcohols over Na-Y decreased when it was prepared as a bimetallic catalyst support. Unsaturated alcohol formation was favored when there was a metal support interaction over monometallic catalysts, and metal-promoter interaction over bimetallic catalyst.Article Citation - WoS: 36Citation - Scopus: 40The Kinetics of Citral Hydrogenation Over Pd Supported on Clinoptilolite Rich Natural Zeolite(Elsevier Ltd., 2005) Yılmaz, Selahattin; Uçar, Şule; Artok, Levent; Güleç, HilalThe liquid phase hydrogenation of citral has been investigated over Pd (2.42%) supported on clinoptilolite rich natural zeolite catalyst for different reaction conditions. The zeolite support did not affect the active metal properties. This was attributed to the large size of Pd particles on the support. High selectivity (90%) to citronellal was obtained at complete conversion of citral. The catalytic activity increased with reaction temperature (80, 100, 120°C) following an Arrhenius behaviour, while selectivity remained constant for a given conversion. Selectivity to citronellal increased from 78 to 90% with increase in the amount of catalyst in the reaction solution (Citral/Pd mole ratio 293, 176 and 105). The spent catalyst regained its fresh activity and selectivity upon regeneration.Article Citation - WoS: 13Citation - Scopus: 14Electronic Transport Properties of Microcrystalline Silicon Thin Films Prepared by Vhf-Pecvd(Springer Verlag, 2004) Okur, Salih; Güneş, Mehmet; Göktaş, Oktay; Finger, Friedhelm; Carius, ReinhardSteady-state photocarrier grating (SSPG) and steady-state photoconductivity, σph, experiments have been carried out to investigate the electronic transport properties of undoped hydrogenated microcrystalline silicon (μc-Si: H) films prepared with very high frequency plasma enhanced chemical vapor deposition (VHF-PECVD). Material with different crystalline volume fractions was obtained by variation of the silane concentration (SC) in the process gas mixture. Pure amorphous silicon material was investigated for comparison. The ambipolar diffusion length, L amb, which is dominated by the minority carrier properties, is obtained both from the best fit to the experimental photocurrents ratio, β, versus grating period (Λ), and from the "Balberg plot" for the generation rates between 1019 and 1021 cm -3 s-1. Lamb increases from 86 nm with increasing SC and peaks around 200 nm for the SC = 5.6% and decreases again for higher SCs. Lamb values obtained from the intercept of the Balberg plot result in a small difference of around 5% for most of the samples. Minority carrier mobility-lifetime (μτ)-products are much lower than those of majority carriers, however, both majority and minority carrier μτ-products in microcrystalline silicon are higher than those of undoped hydrogenated amorphous silicon. The grating quality factor (γ 0) changes from 0.70 to 1.0 indicating almost negligible surface roughness present in the samples.Conference Object Citation - WoS: 6Citation - Scopus: 101/F Noise in Hydrogenated Amorphous Silicon-Germanium Alloys(Institute of Electrical and Electronics Engineers, 2003) Johanson, Robert E.; Güneş, Mehmet; Kasap, Safa O.Measurements were made of conductance noise of a-Si:H and a-Si 1-xGex:H in two different geometries: one where the current flow is transverse to the surface and the other where it is longitudinal to the surface. Because of the large change in sample resistance between the two geometries, it was not possible to measure both geometries at the same temperature. For both geometries, alloyinzg with up to 40% Ge reduces the noise magnitude by several orders of magnitude over that found in a-Si:H. The decrease is incompatible with several popular noise models. Extrapolating the temperature trends for each geometry shows that it is possible that the noise observed in the transverse samples has the same origin as the higher frequency part of the double power law spectra observed in the longitudinal samples.Conference Object Citation - WoS: 1Citation - Scopus: 1Conductance Fluctuations in Vhf-Pecvd Grown Hydrogenated Microcrystalline Silicon Thin Films(Springer Verlag, 2003) Güneş, Mehmet; Johanson, Robert E.; Kasap, Safa O.; Finger, Friedhelm; Lambertz, AndreasCoplanar conductance fluctuations or excess noise of undoped hydrogenated microcrystal-line silicon (μc-Si : H) thin films grown by VHF-PECVD from silane-hydrogen mixtures with silane concentrations from 2% to 6% have been studied between room temperature and 470 K. We report that undoped μc-Si : H thin films show similar noise-power spectra to those of undoped a-Si : H films in a coplanar sample geometry. At lower temperatures, the noise with the slope α = 0.60 ± 0.07 and at higher temperatures, the noise with the slope α close to unity dominate the spectrum. The noise magnitude decreases with decreasing silane concentration and becomes strongly temperature dependent with increased crystal unity.