Browsing Physics / Fizik by Department "Izmir Institute of Technology. Photonics"
Now showing items 1-20 of 20
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Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene
(Beilstein-Institut Zur Forderung der Chemischen Wissenschaften, 2017-08)Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found ... -
Angle resolved vibrational properties of anisotropic transition metal trichalcogenide nanosheets
(Royal Society of Chemistry, 2017-03)Layered transition metal trichalcogenides (TMTCs) are a new class of anisotropic two-dimensional materials that exhibit quasi-1D behavior. This property stems from their unique highly anisotropic crystal structure where ... -
Atomic-scale understanding of dichlorobenzene-assisted poly 3-hexylthiophene-2,5-diyl nanowire formation mechanism
(Elsevier, 2017-04)Low-dimensional Poly 3-hexylthiophene-2,5-diyl (P3HT) structures that serve efficient exciton dissociation in organic solar cells, play a major role in increasing the charge collection, and hence, the efficiency of organic ... -
Few-layer MoS2 as nitrogen protective barrier
(IOP Publishing, 2017-09)We report experimental and theoretical investigations of the observed barrier behavior of few-layer MoS2 against nitrogenation. Owing to its low-strength shearing, low friction coefficient, and high lubricity, MoS2 exhibits ... -
h-AlN-Mg(OH)2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics
(American Physical Society, 2017-02)Motivated 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)APPL ... -
Hydrogen-induced sp2-sp3 rehybridization in epitaxial silicene
(American Physical Society, 2017-12)We 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) ... -
Hydrogen-induced structural transition in single layer ReS2
(IOP Publishing, 2017-09)By 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, ... -
Hydrogenation-driven phase transition in single-layer TiSe2
(IOP Publishing, 2017-11)First-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 ... -
Mechanical properties of monolayer GaS and GaSe crystals
(American Physical Society, 2016-12)The mechanical properties of monolayer GaS and GaSe crystals are investigated in terms of their elastic constants: in-plane stiffness (C), Poisson ratio (ν), and ultimate strength (σU) by means of first-principles calculations. ... -
Mg(OH)2-WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover
(American Physical Society, 2016)Magnesium hydroxide [Mg(OH)2] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of ... -
Quantum-Transport Characteristics of a p–n Junction on Single-Layer TiS3
(Wiley, 2016-12)By using density functional theory and non-equilibrium Green′s function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p–n junction. We constructed a lateral p–n junction on a ... -
Single layer PbI2: Hydrogenation-driven reconstructions
(Royal Society of Chemistry, 2016)By 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 ... -
Stability, electronic and phononic properties of β and 1T structures of SiTex (x = 1, 2) and their vertical heterostructures
(IOP Publishing, 2017-08)By performing first-principles calculations, we predict a novel, stable single layer phase of silicon ditelluride, 1T-SiTe2, and its possible vertical heterostructures with single layer β-SiTe. Structural optimization and ... -
Stable monolayer α-phase of CdTe: Strain-dependent properties
(Royal Society of Chemistry, 2017)CdTe is a well known and widely used binary compound for optoelectronic applications. In this study, we propose the thinnest, free standing monolayer of CdTe which has a tetragonal-PbO (α-PbO) symmetry. The structural, ... -
Stable ultra-thin CdTe crystal: A robust direct gap semiconductor
(IOP Publishing, 2017-11)Employing density functional theory based calculations, we investigate structural, vibrational and strain-dependent electronic properties of an ultra-thin CdTe crystal structure that can be derived from its bulk counterpart. ... -
Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip
(IOP Publishing, 2016-07)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 ... -
Structural, electronic and phononic properties of PtSe2: From monolayer to bulk
(Institute of Physics Publishing, 2018-06)The 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 ... -
Thinning CsPb2Br5 perovskite down to monolayers: Cs-dependent stability
(American Physical Society, 2017-10)Using first-principles density functional theory calculations, we systematically investigate the structural, electronic, and vibrational properties of bulk and potential single-layer structures of perovskitelike CsPb2Br5 ... -
Ultra-thin ZnSe: Anisotropic and flexible crystal structure
(Elsevier, 2017-07)By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal [11]. The vibrational spectrum analysis reveals that the ... -
α-Silicene as oxidation-resistant ultra-thin coating material
(Beilstein-Institut Zur Forderung der Chemischen Wissenschaften, 2017)By performing density functional theory (DFT)-based calculations, the performance of a-silicene as oxidation-resistant coating on Ag(111) surface is investigated. First of all, it is shown that the Ag(111) surface is quite ...
