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: 8Citation - Scopus: 10Experimental and Computational Investigation of Graphene/Sams Schottky Diodes(Elsevier Ltd., 2018) Aydın, Hasan; Bacaksız, Cihan; Yağmurcukardeş, Nesli; Karakaya, Caner; Mermer, Ömer; Can, Mustafa; Senger, Ramazan Tuğrul; Şahin, Hasan; Selamet, YusufWe have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4″bis(diphenylamino)-1, 1′:3″-terphenyl-5′ carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-yl-1,1′:3′1′-terphenyl-5′ carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current–voltage (I–V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)–V dependences were determined as 2.13, 1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (R s ) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as π–π interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode.Article Citation - WoS: 31Citation - Scopus: 31Hydrogen-Induced Structural Transition in Single Layer Res2(IOP Publishing Ltd., 2017) Yağmurcukardeş, Mehmet; Bacaksız, Cihan; Senger, Ramazan Tuğrul; Şahin, HasanBy performing density functional theory-based calculations, we investigate how structural, electronic and mechanical properties of single layer ReS2 can be tuned upon hydrogenation of its surfaces. It is found that a stable, fully hydrogenated structure can be obtained by formation of strong S-H bonds. The optimized atomic structure of ReS2H2 is considerably different than that of the monolayer ReS2 which has a distorted-1T phase. By performing phonon dispersion calculations, we also predict that the Re2-dimerized 1T structure (called 1TRe2) of the ReS2H2 is dynamically stable. Unlike the bare ReS2 the 1TRe2–ReS2H2 structure which is formed by breaking the Re4 clusters into separated Re2 dimers, is an indirect-gap semiconductor. Furthermore, mechanical properties of the 1TRe2 phase in terms of elastic constants, in-plane stiffness (C) and Poisson ratio (ν) are investigated. It is found that full hydrogenation not only enhances the flexibility of the single layer ReS2 crystal but also increases anisotropy of the elastic constantsArticle Citation - WoS: 23Citation - Scopus: 25H-Aln Van Der Waals Bilayer Heterostructure: Tuning the Excitonic Characteristics(American Physical Society, 2017) Bacaksız, Cihan; Dominguez, A.; Rubio, A.; Senger, Ramazan Tuğrul; Şahin, HasanMotivated by recent studies that reported the successful synthesis of monolayer Mg(OH)2 [Suslu, Sci. Rep. 6, 20525 (2016)2045-232210.1038/srep20525] and hexagonal (h-)AlN [Tsipas, Appl. Phys. Lett. 103, 251605 (2013)APPLAB0003-695110.1063/1.4851239], we investigate structural, electronic, and optical properties of vertically stacked h-AlN and Mg(OH)2, through ab initio density-functional theory (DFT), many-body quasiparticle calculations within the GW approximation and the Bethe-Salpeter equation (BSE). It is obtained that the bilayer heterostructure prefers the AB′ stacking having direct band gap at the Γ with Type-II band alignment in which the valance band maximum and conduction band minimum originate from different layer. Regarding the optical properties, the imaginary part of the dielectric function of the individual layers and heterobilayer are investigated. The heterobilayer possesses excitonic peaks, which appear only after the construction of the heterobilayer. The lowest three exciton peaks are analyzed in detail by means of band decomposed charge density and the oscillator strength. Furthermore, the wave function calculation shows that the first peak of the heterobilayer originates from spatially indirect exciton where the electron and hole localized at h-AlN and Mg(OH)2, respectively, which is important for the light harvesting applications.Article Citation - WoS: 54Citation - Scopus: 53Nitrogen Doping for Facile and Effective Modification of Graphene Surfaces(Royal Society of Chemistry, 2017) Yanılmaz, Alper; Tomak, Aysel; Akbalı, Barış; Bacaksız, Cihan; Özçeri, Elif; Arı, Ozan; Senger, Ramazan Tuğrul; Selamet, Yusuf; Zareie, Hadi M.We report experimental and theoretical investigations of nitrogen doped graphene. A low-pressure Chemical Vapor Deposition (CVD) system was used to grow large-area graphene on copper foil, using ethylene as the carbon source. Nitrogen-doped graphene (N-graphene) was prepared by exposing the graphene transferred to different substrates to atomic nitrogen plasma. The effect of varying nitrogen flow rates on doping of graphene was investigated while keeping the power and time constant during the process. The N-graphene was characterized via Raman Spectroscopy, X-ray Photoelectron Spectroscopy (XPS), Scanning Tunneling Microscopy and Spectroscopy (STM and STS), and Fourier Transform Infrared spectroscopy (FTIR). Raman mapping of N-graphene was also performed to show homogeneity of nitrogen on the graphitic lattice. XPS results have revealed the presence of different nitrogen configurations in the graphitic lattice with similar doping concentrations. Density functional theory (DFT) based calculations showed that the periodic adsorption of N atoms predominantly occurs on top of the C atoms rather than through substitution of C in our N-graphene samples. Our results indicate a feasible procedure for producing N-graphene with homogenous and effective doping which would be valuable in electronic and optical applications.Article Citation - WoS: 2Citation - Scopus: 2Structural Changes in a Schiff Base Molecular Assembly Initiated by Scanning Tunneling Microscopy Tip(IOP Publishing Ltd., 2016) Tomak, Aysel; Bacaksız, Cihan; Mendirek, Gizem; Şahin, Hasan; Hür, Deniz; Görgün, Kamuran; Senger, Ramazan Tuğrul; Birer, Özgür; Peeters, François M.; Zareie, Hadi M.We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines.Article Citation - WoS: 15Citation - Scopus: 18Computing Optical Properties of Ultra-Thin Crystals(John Wiley and Sons Inc., 2016) Şahin, Hasan; Torun, Engin; Bacaksız, Cihan; Horzum, Şeyda; Kang, J.; Senger, Ramazan Tuğrul; Peeters, François M.An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2 , MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene, and graphane). Ultra-thin crystals are atomically thick-layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational, and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory.Article Citation - WoS: 58Citation - Scopus: 60Layer- and Strain-Dependent Optoelectronic Properties of Hexagonal Aln(American Physical Society, 2015) Keçik, Deniz; Bacaksız, Cihan; Senger, Ramazan Tuğrul; Durgun, EnginMotivated by the recent synthesis of layered hexagonal aluminum nitride (h-AlN), we investigate its layer- and strain-dependent electronic and optical properties by using first-principles methods. Monolayer h-AlN is a wide-gap semiconductor, which makes it interesting especially for usage in optoelectronic applications. The optical spectra of 1-, 2-, 3-, and 4-layered h-AlN indicate that the prominent absorption takes place outside the visible-light regime. Within the ultraviolet range, absorption intensities increase with the number of layers, approaching the bulk case. On the other hand, the applied tensile strain gradually redshifts the optical spectra. The many-body effects lead to a blueshift of the optical spectra, while exciton binding is also observed for 2D h-AlN. The possibility of tuning the optoelectronic properties via thickness and/or strain opens doors to novel technological applications of this promising material.