Browsing by Subject "Nanoribbons"
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Item Open Access Excitation dependent recombination studies on SnO2/TiO2 electrospun nanofibers(Royal Society of Chemistry, 2015) Babu, V. J.; Vempati S.; Ertas Y.; Uyar, TamerPoly(vinyl acetate) (PVAc)/TiO2 nanofibers, PVAc/SnO2 nanoribbons and PVAc/SnO2-TiO2 nanoribbons were produced via electrospinning. TiO2 nanofibers and SnO2 nanoribbons were obtained by removal of the polymeric matrix (PVAc) after calcination at 450 °C. Interestingly, PVAc/SnO2-TiO2 nanoribbons were transformed into SnO2-TiO2 nanofibers after calcination under the similar conditions. Fiber morphology and elemental mapping confirmed through SEM and TEM microscope techniques respectively. The X-ray diffraction measurements suggested the presence of anatase TiO2 and rutile SnO2 and both were present in the SnO2-TiO2 mixed system. Systematic photoluminescence studies were performed on the electrospun nanostructures at different excitation wavelengths (λex1 = 325, λex2 = 330, λex3 = 350, λex4 = 397 and λex5 = 540 nm). We emphasize that the defects in the SnO2-TiO2 based on the defect levels present in TiO2 and SnO2 and anticipate that these defect levels may have great potential in understanding and characterizing various semiconducting nanostructures.Item Open Access First-principles calculations of Pd-terminated symmetrical armchair graphene nanoribbons(Elsevier, 2013) Kuloglu, A. F.; Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, EkmelThe effects of Palladium (Pd) termination on the electronic properties of armchair graphene nanoribbons (AGNRs) were calculated by using ab initio calculations. After a geometric optimization process, the electronic band structures, density of states, and binding energies of AGNRs with Na = 5-15 were calculated. Pd-termination was found to significantly influence the electronic properties of AGNRs. In DOS, many Q0D and Q1D type states were observed. Binding energy (BE) for single-side or both-side Pd-terminated structures represents characteristic drops with the increasing GNR width. With the increasing GNR width, the BEs of these structures become similar to hydrogenated structures. Because of the GNR width, dependent BE also gave information on the possible stiffness information, in which all of this information can be used in studies where controlled binding to graphene is required.Item Open Access First-principles investigation of armchair stanene nanoribbons(Elsevier B.V., 2018) Fadaie, M.; Shahtahmassebi, N.; Roknabad, M. R.; Gülseren, OğuzIn this study, we systematically investigated the structural, electronic and optical properties of armchair stanene nanoribbons (ASNRs) by using the first-principles calculations. First, we performed full geometry optimization calculations on various finite width ASNRs where all the edge Sn atoms are saturated by hydrogen atoms. The buckled honeycomb structure of two dimensional (2D) stanene is preserved, however the bond length between the edge Sn atoms is shortened to 2.77 Å compared to the remaining bonds with 2.82 Å length. The electronic properties of these nanoribbons strongly depend on their ribbon width. In general, band gap opens and increases with decreasing nanoribbon width indicating the quantum confinement effect. Consequently, the band gap values vary from a few meV exhibiting low-gap semiconductor (quasi-metallic) behavior to ∼0.4-0.5 eV showing moderate semiconductor character. Furthermore, the band gap values are categorized into three groups according to modulo 3 of integer ribbon width N which is the number of Sn atoms along the width. In order to investigate the optical properties, we calculated the complex dielectric function and absorption spectra of ASNRs, they are similar to the one of 2D stanene. For light polarized along ASNRs, in general, largest peaks appear around 0.5 eV and 4.0 eV in the imaginary part of dielectric functions, and there are several smaller peaks between them. These major peaks redshifts, slightly to the lower energies of incident light with increasing nanoribbon width. On the other hand, for light polarized perpendicular to the ribbon, there is a small peak around 1.6 eV, then, there is a band formed from several peaks from 5 eV to ∼7.5 eV, and the second one from 8 eV to ∼9.5 eV. Moreover, the peak positions hardly move with varying nanoribbon width, which indicates that quantum confinement effect is not playing an essential role on the optical properties of armchair stanene nanoribbons. In addition, our calculations of the optical properties indicate the anisotropy with respect to the type of light polarization. This anisotropy is due to the quasi-2D nature of the nanoribbons.Item Open Access Two-and one-dimensional honeycomb structures of silicon and germanium(American Physical Society, 2009) Cahangirov, S.; Topsakal, M.; Aktürk, E.; Şahin, H.; Çıracı, SalimFirst-principles calculations of structure optimization, phonon modes, and finite temperature molecular dynamics predict that silicon and germanium can have stable, two-dimensional, low-buckled, honeycomb structures. Similar to graphene, these puckered structures are ambipolar and their charge carriers can behave like a massless Dirac fermion due to their π and π* bands which are crossed linearly at the Fermi level. In addition to these fundamental properties, bare and hydrogen passivated nanoribbons of Si and Ge show remarkable electronic and magnetic properties, which are size and orientation dependent. These properties offer interesting alternatives for the engineering of diverse nanodevices.Item Open Access Two-dimensional pnictogens: a review of recent progresses and future research directions(American Institute of Physics, 2019) Ersan, Fatih; Keçik, Deniz; Özçelik, V. O.; Kadıoğlu, Yelda; Üzengi-Aktürk, O.; Durgun, Engin; Aktürk, Ethem; Çıracı, SalimSoon after the synthesis of two-dimensional (2D) ultrathin black phosphorus and fabrication of field effect transistors thereof, theoretical studies have predicted that other group-VA elements (or pnictogens), N, As, Sb, and Bi can also form stable, single-layer (SL) structures. These were nitrogene in a buckled honeycomb structure, arsenene, antimonene, and bismuthene in a buckled honeycomb, as well as washboard and square-octagon structures with unusual mechanical, electronic, and optical properties. Subsequently, theoretical studies are followed by experimental efforts that aim at synthesizing these novel 2D materials. Currently, research on 2D pnictogens has been a rapidly growing field revealing exciting properties, which offers diverse applications in flexible electronics, spintronics, thermoelectrics, and sensors. This review presents an evaluation of the previous experimental and theoretical studies until 2019, in order to provide input for further research attempts in this field. To this end, we first reviewed 2D, SL structures of group-VA elements predicted by theoretical studies with an emphasis placed on their dynamical and thermal stabilities, which are crucial for their use in a device. The mechanical, electronic, magnetic, and optical properties of the stable structures and their nanoribbons are analyzed by examining the effect of external factors, such as strain, electric field, and substrates. The effect of vacancy defects and functionalization by chemical doping through adatom adsorption on the fundamental properties of pnictogens has been a critical subject. Interlayer interactions in bilayer and multilayer structures, their stability, and tuning their physical properties by vertical stacking geometries are also discussed. Finally, our review is concluded by highlighting new research directions and future perspectives on the challenges in this emerging field.