Sürdürülebilir Yeşil Kampüs Koleksiyonu / Sustainable Green Campus Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7755
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Article Citation - WoS: 18Citation - Scopus: 19Oxyhydroxide of Metallic Nanowires in a Molecular H2o and H2o2 Environment and Their Effects on Mechanical Properties(Royal Society of Chemistry, 2018) Aral, Gürcan; İslam, Md Mahbubul; Wang, Yun-Jiang; Ogata, Shigenobu; van Duin, Adri C. T.To avoid unexpected environmental mechanical failure, there is a strong need to fully understand the details of the oxidation process and intrinsic mechanical properties of reactive metallic iron (Fe) nanowires (NWs) under various aqueous reactive environmental conditions. Herein, we employed ReaxFF reactive molecular dynamics (MD) simulations to elucidate the oxidation of Fe NWs exposed to molecular water (H2O) and hydrogen peroxide (H2O2) environment, and the influence of the oxide shell layer on the tensile mechanical deformation properties of Fe NWs. Our structural analysis shows that oxidation of Fe NWs occurs with the formation of different iron oxide and hydroxide phases in the aqueous molecular H2O and H2O2 oxidizing environments. We observe that the resulting microstructure due to pre-oxide shell layer formation reduces the mechanical stress via increasing the initial defect sites in the vicinity of the oxide region to facilitate the onset of plastic deformation during tensile loading. Specifically, the oxide layer of Fe NWs formed in the H2O2 environment has a relatively significant effect on the deterioration of the mechanical properties of Fe NWs. The weakening of the yield stress and Young modulus of H2O2 oxidized Fe NWs indicates the important role of local oxide microstructures on mechanical deformation properties of individual Fe NWs. Notably, deformation twinning is found as the primary mechanical plastic deformation mechanism of all Fe NWs, but it is initially observed at low strain and stress level for the oxidized Fe NWs.Article Citation - WoS: 24Citation - Scopus: 26Role of Surface Oxidation on the Size Dependent Mechanical Properties of Nickel Nanowires: a Reaxff Molecular Dynamics Study(Royal Society of Chemistry, 2017) Aral, Gürcan; Islam, Md Mahbubul; Van Duin, Adri C. T.Highly reactive metallic nickel (Ni) is readily oxidized by oxygen (O2) molecules even at low temperatures. The presence of the naturally resulting pre-oxide shell layer on metallic Ni nano materials such as Ni nanowires (NW) is responsible for degrading the deformation mechanisms and related mechanical properties. However, the role of the pre-oxide shell layer on the metallic Ni NW coupled with the complicated mechanical deformation mechanism and related properties have not yet been fully and independently understood. For this reason, the ReaxFF reactive force field for Ni/O interactions was used to investigate the effect of surface oxide layers and the size-dependent mechanical properties of Ni NWs under precisely controlled tensile loading conditions. To directly quantify the size dependent surface oxidation effect on the tensile mechanical deformation behaviour and related properties for Ni NWs, first, ReaxFF-molecular dynamics (MD) simulations were carried out to study the oxidation kinetics on the free surface of Ni NWs in a molecular O2 environment as a function of various diameters (D = 5.0, 6.5, and 8.0 nm) of the NWs, but at the same length. Single crystalline, pure metallic Ni NWs were also studied as a reference. The results of the oxidation simulations indicate that a surface oxide shell layer with limiting thickness of ∼1.0 nm was formed on the free surface of the bare Ni NW, typically via dissociation of the O-O bonds and the subsequent formation of Ni-O bonds. Furthermore, we investigated the evolution of the size-dependent intrinsic mechanical elastic properties of the core-oxide shell (Ni/NixOy) NWs by comparing them with their un-oxidized counterparts under constant uniaxial tensile loading. We found that the oxide shell layer significantly decreases the mechanical properties of metallic Ni NW as well as facilitates the initiation of plastic deformation as a function of decreasing diameter. The disordered oxide shell layer on the Ni NW's surface remarkably reduces the yield stress and Young's modulus, due to the increased softening effects with the decreasing NW diameter, compared to un-oxidized counterparts. Moreover, the onset of plastic deformation occurs at a relatively low yielding strain and stress level for the smaller diameter of oxide-coated Ni NWs in comparison to their pure counterparts. Furthermore, for pure Ni NWs, Young's modulus, the yielding stress and strain slightly decrease with the decrease in the diameter size of Ni NWs.Article Citation - WoS: 39Citation - Scopus: 43Synthesis and Humidity Sensing Analysis of Zns Nanowires(Elsevier Ltd., 2012) Okur, Salih; Üzar, Neslihan; Tekgüzel, Nesli; Erol, Ayşe; Arıkan, M. ÇetinZnS nanowires synthesized by the vapor-liquid-solid (VLS) method and humidity sensing properties of obtained ZnS nanowires were investigated by quartz crystal microbalance (QCM) method and electrical measurements. The synthesized nanowires were exposed to relative humidity (RH) between 22% and 97% under controlled environment. Our experimental results show that ZnS nanowires have a great potential for humidity sensing applications in room temperature operations. © 2010 Elsevier B.V. All rights reserved.Article Citation - WoS: 59Citation - Scopus: 59Interfacial and Structural Properties of Sputtered Hfo2 Layers(American Institute of Physics, 2009) Özyüzer, Gülnur Aygün; Yıldız, İlkerMagnetron sputtered HfO2 layers formed on a heated Si substrate were studied by spectroscopic ellipsometer (SE), x-ray diffraction (XRD), Fourier transform infrared (FTIR), and x-ray photoelectron spectroscopy (XPS) depth profiling techniques. The results show that the formation of a SiO x suboxide layer at the HfO2 /Si interface is unavoidable. The HfO2 thickness and suboxide formation are highly affected by the growth parameters such as sputtering power, O2 /Ar gas ratio during sputtering, sputtering time, and substrate temperature. XRD spectra show that the deposited film has (111) monoclinic phase of HfO2, which is also supported by FTIR spectra. The atomic concentration and chemical environment of Si, Hf, and O have been measured as a function of depth starting from the surface of the sample by XPS technique. It shows that HfO2 layers of a few nanometers are formed at the top surface. Below this thin layer, Si-Si bonds are detected just before the Si suboxide layer, and then the Si substrate is reached during the depth profiling by XPS. It is clearly understood that the highly reactive sputtered Hf atoms consume some of the oxygen atoms from the underlying SiO2 to form HfO2, leaving Si-Si bonds behind.Article Citation - WoS: 50Citation - Scopus: 53Nanoscale Oxide Growth on Al Single Crystals at Low Temperatures: Variable Charge Molecular Dynamics Simulations(American Physical Society, 2006) Hasnaoui, A.; Politano, O.; Salazar, J. M.; Aral, GürcanWe investigate the oxidation of aluminum low-index surfaces [(100), (110), and (111)] at low temperatures (300-600 K) and three different gas pressure values. We use molecular dynamics (MD) simulations with dynamic charge transfer between atoms where the interaction between atoms is described by the Es+ potential composed of the embedded atom method (EAM) potential and an electrostatic contribution. In the considered temperature range and under different gas pressure conditions, the growth kinetics follow a direct logarithmic law where the oxide thickness is limited to a value of ∼3 nm. The fitted curves allow us to determine the temperature and the pressure dependencies of the parameters involved in the growth law. During the adsorption stage, we observe a rotation of the oxygen pair as a precursor process to its dissociation. In most cases, the rotation aligns the molecule vertically to the Al surface. The separation distance after dissociation ranges from 3 to 9. Atomistic observations revealed that the oxide presents a dominant tetrahedral (Al O4) environment in the inner layer and mixed tetrahedral and octahedral (Al O6) environments in the outer oxide region when the oxide thickness reaches values beyond ∼2 nm.Conference Object Citation - WoS: 16Citation - Scopus: 17Instability Phenomena in Microcrystalline Silicon Films(National Institute of Optoelectronics, 2005) Finger, Friedhelm; Carius, Reinhard; Dylla, Thorsten; Klein, Stefan; Okur, Salih; Güneş, MehmetMicrocrystalline silicon (μc-Si:H) for solar cell applications is investigated with respect to the material stability upon treatment of the material in various environments, followed by annealing. The material can be separated into two groups: (i) material with high crystalline volume fractions and pronounced porosity which is susceptible to in-diffusion of atmospheric gases, which, through adsorption or oxidation affect the electronic properties and (ii) compact material with high or low crystalline volume fractions which show considerably less or no influence of treatment in atmospheric gases. We report the investigation of such effects on the stability of μc-Si:H films prepared by plasma enhanced chemical vapour deposition and hot wire chemical vapour deposition.Conference Object Citation - WoS: 7Citation - Scopus: 8Properties of Reactive O2 Ion Beam Sputtered Tio2 on Si Wafers(National Institute of Optoelectronics, 2005) Ulucan, Savaş; Özyüzer, Gülnur Aygün; Özyüzer, Lütfi; Eğilmez, Mehmet; Turan, RaşitTiO2 thin films were deposited on silicon (100) p-type wafers, using the reactive ion beam sputtering method in high vacuum as an alternative to conventional Argon ion beam sputtering in an O2 environment. Oxygen ions with 1000 eV energy were formed in a thruster and bombarded a high purity Ti target. The molecules of TiO2 were deposited on a Si (100) wafer at various substrate temperatures. The structural and optical properties were analyzed using Fourier Transform Infrared Spectroscopy in the range of 400-4000 cm-1. An ellipsometer was used to measure the thickness and refractive index of the deposited films. In order to determine the dielectric constant and capacitance of the deposited TiO2, the electrical properties were studied using an MOS capacitor. The effects of substrate temperature and deposition time on the dielectric properties of TiO2 are discussed.