WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7150
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Article Anisotropic Tunability of Vibrational Modes in Black Phosphorus Under Uniaxial Compressive/Tensile Strain(Wiley, 2023) Li, Hao; Kutlu, Tayfun; Carrascoso, Felix; Şahin, Hasan; Munuera, Carmen; Castellanos Gomez, AndresStrain engineering is a powerful strategy for tuning the optical, electrical, vibrational properties of 2D nanomaterials. In this work, a four-point bending apparatus is constructed to apply both compressive and tensile strain on 2D anisotropic black phosphorus flake. Further polarized Raman spectroscopy is used to study the vibrational modes of black phosphorus flakes under uniaxial strain applied along various crystalline orientations. Here, a strong anisotropic blue/redshift of A1g, B2g, and A2g modes is found under compressive/tensile strain, respectively. Interestingly, mode A1g exhibits the maximum/minimum shift while mode B2g and mode A2g present the minimum/maximum shift when the strain is applied along armchair/zigzag direction. Density functional theory calculations are carried out to investigate the anisotropic strain response mechanism, finding that the strain-induced regulation of the PP bond angle, bond length, and especially interlayer interaction has a giant influence on the Raman shift. A four-point bending apparatus is constructed to study the effect of uniaxial strain on the vibrational property of anisotropic black phosphorus. Particularly, strong anisotropy on the Raman blueshift/redshift rate upon compressive/tensile strain can be observed, which results from the strain-induced regulation of the bond angle, bond length, and interlayer interactions according to density functional theory calculation analysis.imageArticle Citation - WoS: 5Citation - Scopus: 5Comparison of Characteristic Properties of Al, Ga, and In-Doped Zno Thin Films Formed by Sol-Gel Method(Academic Press, 2021) Horzum, Şeyda; Bulduk, Emel; Şener, Deniz; Serin, TülayHerein, we examine the effect of doping with Indium (In), Gallium (Ga), and Aluminum (Al) (group III elements) on the structural, optical, and vibrational properties of ZnO thin films. The characteristic properties of the ZnO films prepared by the sol-gel dip-coating method are explored by utilizing X-ray diffraction, optical spectroscopy, and Raman scattering measurements. XRD analyzes exhibit that the crystallite size reduces upon doping by Ga and Al, while it increases with In, and all films have hexagonal wurtzite structure. Additionally, Raman measurements indicate that the dominant two peaks at around 104 and 445 cm(-1) are related to E(2)(low )and E-2(high) phonon modes of ZnO, respectively. The low-frequency mode (E-2(low)) is affected by dopant atoms, whereas the high-frequency mode (E-2(high)) of the wurtzite phase is not influenced by the dopant. Moreover, E-dop.atom phonon mode appears at low frequencies and the intensity ratio, I(E-dop.atom)/I(E(2)low), decreases as the ionic radius of dopant atoms increases. UV-Vis spectra reveal that the film transparency, optical band gap, Urbach energy, and refraction index can be effectively tuned by dopant atoms.Article Citation - WoS: 7Citation - Scopus: 8Investigation of the Structural and Optical Properties of Copper-Titanium Oxide Thin Films Produced by Changing the Amount of Copper(Elsevier Ltd., 2019) Horzum, Şeyda; Gürakar, Sibel; Serin, TülayWe examine how the structural, morphological and optical properties of TiO2 thin films are changed with heavily copper (Cu) content. Variations in characteristic properties of the films with 0, 12.5, 25 and 50 wt% Cu contents, grown by sol-gel dip coating method, are observed by using X-ray diffraction (XRD), Raman scattering, atomic force microscopy, energy dispersive X-ray analysis and optical spectroscopy measurements. The XRD and Raman spectra indicate that pure TiO2 film forms in the anatase structure. At high Cu concentrations, XRD results also reveal the substitution of Ti with Cu and formation of extra compound Copper-Titanium oxide. Raman measurements also show that Cu is incorporated homogeneously into TiO2 matrix up to 12.5 wt% concentration and this uniformity is distorted at higher Cu contents. In addition, optical spectroscopy measurements show that the optical band gap energy decreases from 3.26 eV to 2.05 eV with increasing Cu concentration. Furthermore, it is observed that the refractive index values obtained by means of transmittance spectra at 550 nm wavelength; increases from 2.47 to 3.39 when the Cu concentration increases from 0 to 50 wt %.Article Citation - WoS: 50Citation - Scopus: 52Monitoring the Characteristic Properties of Ga-Doped Zno by Raman Spectroscopy and Atomic Scale Calculations(Elsevier, 2019) Horzum, Şeyda; İyikanat, Fadıl; Senger, Ramazan Tuğrul; Çelebi, Cem; Sbeta, Mohamed; Yıldız, Abdullah; Serin, TülayWe experimentally and theoretically study how the structural and vibrational properties of zinc oxide (ZnO) are modified upon Gallium (Ga) doping. The characteristics of Ga-doped ZnO thin films which are synthesized by sol-gel spin coating method on glass substrates are monitored by using X-ray diffraction (XRD) and Raman scattering measurements. For atomic-level understanding of the experimental findings state-of-the-art density functional theory (DFT) based calculations are also performed. DFT calculations reveal that both the substitution and adsorption of Ga atoms in ZnO are energetically possible and substitutional doping in ZnO is the most favourable scenario. XRD measurements show that all the films are in wurtzite structure and the crystallite size of the films decreases with increasing Ga doping. In addition, Raman analysis show that strong vibrational modes at about 100 and 441 cm(-1) are associated with E-2(low) and E-2(high) phonon branches of ZnO, respectively. While the frequency of the E-2(low) mode downshifts with increasing Ga concentration, the E-2(high) phonon mode is not affected by the Ga doping. Furthermore, E-Ga phonon branch, stemming from the substituted Ga atoms, emerges at low frequencies. It is also seen that the Raman intensity of the E-G(a) peak linearly increases with increasing Ga concentration. Experimental results on the vibrational properties are in good agreement with the ab initio phonon calculations. (C) 2018 Elsevier B.V. All rights reserved.Article Citation - WoS: 110Citation - Scopus: 109Structural, Electronic and Phononic Properties of Ptse2: From Monolayer To Bulk(IOP Publishing Ltd., 2018) Kandemir, Ali; Akbalı, Barış; Kahraman, Z.; Badalov, S. V.; Özcan, Mehmet; İyikanat, Fadıl; Şahin, HasanThe layer dependent structural, electronic and vibrational properties of the 1T phase of two dimensional (2D) platinum diselenide are investigated by means of state-of-the-art first-principles calculations. The main findings of the study are: (i) monolayer platinum diselenide has a dynamically stable 2D octahedral structure with 1.66 eV indirect band gap, (ii) the semiconducting nature of 1T-PtSe2 monolayers remains unaffected even at high biaxial strains, (iii) top-to-top (AA) arrangement is found to be energetically the most favorable stacking of 1T-PtSe2 layers, (iv) the lattice constant (layer-layer distance) increases (decreases) with increasing number of layers, (v) while monolayer and bilayer 1T-PtSe2 are indirect semiconductors, bulk and few-layered 1T-PtSe2 are metals, (vi) Raman intensity and peak positions of the A1g and Eg modes are found to be highly dependent on the layer thickness of the material, hence; the number of layers of the material can be determined via Raman measurements.Article Citation - WoS: 12Citation - Scopus: 11Theoretical and Experimental Investigation of Conjugation of 1,6-Hexanedithiol on Mos2(IOP Publishing Ltd., 2018) Gül, Aytaç; Bacaksız, Cihan; Ünsal, Emre; Akbalı, Barış; Tomak, Aysel; Zareie, Hadi M.; Şahin, HasanWe report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDT structure is changed upon conjugation of HDT on MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2.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: 2Citation - Scopus: 2The Effect of Thickness of Silver Thin Film on Structural and Optical Properties of Porous Silicon(World Scientific Publishing Co. Pte Ltd, 2017) Çetinel, A.; Özdoğan, M.; Utlu, G.; Artunç, N.; Şahin, G.; Tarhan, EnverIn this study, porous silicon (PS) samples were prepared on n-type silicon (100) wafers by electrochemical etching method, varying the current density from 20 to 100mA/cm2 and keeping constant HF concentration (10%) and etching time of 15min. Then, Ag thin films, which have 10, 50 and 100nm film thicknesses, were deposited on PS layers by using thermal evaporation to investigate the influence of Ag film thickness on structural and optical properties of PS. The structural and optical properties of PS and Ag deposited PS layers have been investigated by XRD, FE-SEM, Raman and photoluminescence (PL) spectroscopy. FE-SEM XRD and Raman analyzes indicate that average pore size and porosity of PS layers increase with the increasing current density. Further, Ag nanoparticles have embedded in pore channel. PL measurement reveals that higher porosity of PS would be better to form the Ag-PS nano-composite material leading to stronger PL band. The PL spectra of PS and Ag-PS samples indicate that PL bands show blue shift with increasing current density and film thickness. Consequently, it has been found that the structural and optical properties of PS depend on current density and Ag film thickness individually.Article Citation - WoS: 37Citation - Scopus: 362d Vibrational Properties of Epitaxial Silicene on Ag(111)(IOP Publishing Ltd., 2017) Solonenko, Dmytro; Gordan, Ovidiu D.; Le Lay, Guy; Şahin, Hasan; Cahangirov, Seymur; Zahn, Dietrich R. T.; Vogt, PatrickThe two-dimensional silicon allotrope, silicene, could spur the development of new and original concepts in Si-based nanotechnology. Up to now silicene can only be epitaxially synthesized on a supporting substrate such as Ag(111). Even though the structural and electronic properties of these epitaxial silicene layers have been intensively studied, very little is known about its vibrational characteristics. Here, we present a detailed study of epitaxial silicene on Ag(111) using in situ Raman spectroscopy, which is one of the most extensively employed experimental techniques to characterize 2D materials, such as graphene, transition metal dichalcogenides, and black phosphorous. The vibrational fingerprint of epitaxial silicene, in contrast to all previous interpretations, is characterized by three distinct phonon modes with A and E symmetries. Both, energies and symmetries of theses modes are confirmed by ab initio theory calculations. The temperature dependent spectral evolution of these modes demonstrates unique thermal properties of epitaxial silicene and a significant electron-phonon coupling. These results unambiguously support the purely two-dimensional character of epitaxial silicene up to about 300°C, whereupon a 2D-to-3D phase transition takes place. The detailed fingerprint of epitaxial silicene will allow us to identify it in different environments or to study its modifications.Article Citation - WoS: 79Citation - Scopus: 91Unusual Lattice Vibration Characteristics in Whiskers of the Pseudo-One Titanium Trisulfide Tis3(Nature Publishing Group, 2016) Wu, Kedi; Torun, Engin; Şahin, Hasan; Chen, Bin; Fan, Xi; Pant, Anupum; Wright, David Parsons; Aoki, Toshihiro; Peeters, François M.; Soignard, Emmanuel; Tongay, SefaattinTransition metal trichalcogenides form a class of layered materials with strong in-plane anisotropy. For example, titanium trisulfide (TiS3) whiskers are made out of weakly interacting TiS3 layers, where each layer is made of weakly interacting quasi-one-dimensional chains extending along the b axis. Here we establish the unusual vibrational properties of TiS3 both experimentally and theoretically. Unlike other two-dimensional systems, the Raman active peaks of TiS3 have only out-of-plane vibrational modes, and interestingly some of these vibrations involve unique rigid-chain vibrations and S-S molecular oscillations. High-pressure Raman studies further reveal that the Ag S-S S-S molecular mode has an unconventional negative pressure dependence, whereas other peaks stiffen as anticipated. Various vibrational modes are doubly degenerate at ambient pressure, but the degeneracy is lifted at high pressures. These results establish the unusual vibrational properties of TiS3 with strong in-plane anisotropy, and may have relevance to understanding of vibrational properties in other anisotropic two-dimensional material systems. © The Author(s) 2016.