WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7150
Browse
9 results
Search Results
Now showing 1 - 9 of 9
Article Citation - WoS: 4Citation - Scopus: 4Color-Tunable All-Inorganic Cspbbr3 Perovskites Nanoplatelet Films for Photovoltaic Devices(American Chemical Society, 2019) Özcan, Mehmet; Özen, Sercan; Topçu, Gökhan; Demir, Mustafa Muammer; Şahin, HasanHerein, we demonstrate a novel coating approach to fabricate CsPbBr3 perovskite nanoplatelet film with heat-free process via electrospraying from precursor solution. A detailed study is carried out to determine the effect of various parameters such as ligand concentration, electric field, flow rate, etc. on the optical properties. By controlling the volume ratios of the oleylamine (OAm) and oleic acid (OA), the coalescing and thickness of the resulting nanoplatelets can be readily tuned that results in control over emission in the range of 100 nm without any antisolvent crystallization or heating processes. The varying electrical field and flow rate was found as inefficient on the emission characteristics of the films. In addition, the crystal films were obtained under ambient conditions on the ITO coated glass surfaces as in the desired pattern. As a result, we demonstrated a facile and reproducible way of synthesizing and coating of CsPbBr3 perovskite nanoplatelets which is suitable for large-scale production. In this method, the ability of tuning the degree of quantum confinement for perovskite nanoplatelets is promising approach for the one-step fabrication of crystal films that may enable the use in optoelectronics.Article Citation - WoS: 35Citation - Scopus: 40Two-Dimensional Covalent Crystals by Chemical Conversion of Thin Van Der Waals Materials(American Chemical Society, 2019) Sreepal, Vishnu; Yağmurcukardeş, Mehmet; Vasu, Kalangi S.; Kelly, Daniel J.; Taylor, Sarah F. R.; Şahin, Hasan; Kravets, Vasyl G.; Nair, Rahul R.Most of the studied two-dimensional (2D) materials have been obtained by exfoliation of van der Waals crystals. Recently, there has been growing interest in fabricating synthetic 2D crystals which have no layered bulk analogues. These efforts have been focused mainly on the surface growth of molecules in high vacuum. Here, we report an approach to making 2D crystals of covalent solids by chemical conversion of van der Waals layers. As an example, we used 2D indium selenide (InSe) obtained by exfoliation and converted it by direct fluorination into indium fluoride (InF3), which has a nonlayered, rhombohedral structure and therefore cannot possibly be obtained by exfoliation. The conversion of InSe into InF3 is found to be feasible for thicknesses down to three layers of InSe, and the obtained stable InF3 layers are doped with selenium. We study this new 2D material by optical, electron transport, and Raman measurements and show that it is a semiconductor with a direct bandgap of 2.2 eV, exhibiting high optical transparency across the visible and infrared spectral ranges. We also demonstrate the scalability of our approach by chemical conversion of large-area, thin InSe laminates obtained by liquid exfoliation, into InF3 films. The concept of chemical conversion of cleavable thin van der Waals crystals into covalently bonded noncleavable ones opens exciting prospects for synthesizing a wide variety of novel atomically thin covalent crystals.Article Citation - WoS: 28Citation - Scopus: 28Enhanced Stability of Single-Layer W-Gallenene Through Hydrogenation(American Chemical Society, 2018) Badalov, S. V.; Yağmurcukardeş, Mehmet; Peeters, François M.; Şahin, HasanUsing density functional theory based first-principles calculations, the effect of surface hydrogenation on the structural, dynamical, electronic, and mechanical properties of monolayer washboard-gallenene (w-gallenene) is investigated. It is found that the dynamically stabilized strained monolayer of w-gallenene has a metallic nonmagnetic ground state. Both one-sided and two-sided hydrogenations of w-gallenene suppress its dynamical instability even when unstrained. Unlike one-sided hydrogenated monolayer w-gallenene (os-w-gallenene), two-sided hydrogenated monolayer w-gallenene (ts-w-gallenene) possesses the same crystal structure as w-gallenene. Electronic band structure calculations reveal that monolayers of hydrogenated derivatives of w-gallenene exhibit also metallic nonmagnetic ground state. Moreover, the linear-elastic constants, in-plane stiffness and Poisson ratio, are enhanced by hydrogenation, which is opposite to the behavior of other hydrogenated monolayer crystals. Furthermore, monolayer w-gallenene and ts-w-gallenene remain dynamically stable up to relatively higher biaxial strains as compared to borophene. With its enhanced dynamical stability, robust metallic character, and enhanced linear-elastic properties, hydrogenated monolayer w-gallenene is a potential candidate for nanodevice applications as a two-dimensional flexible metal.Article Citation - WoS: 93Citation - Scopus: 95Single-Layer Janus-Type Platinum Dichalcogenides and Their Heterostructures(American Chemical Society, 2019) Kahraman, Zeynep; Kandemir, Ali; Yağmurcukardeş, Mehmet; Şahin, HasanUltrathin two-dimensional Janus-type platinum dichalcogenide crystals formed by two different atoms at opposite surfaces are investigated by performing state-of-the-art density functional theory calculations. First, it is shown that single-layer PtX2 structures (where X = S, Se, or Te) crystallize into the dynamically stable IT phase and are indirect band gap semiconductors. It is also found that the substitutional chalcogen doping in all PtX2 structures is favorable via replacement of surface atoms with a smaller chalcogen atom, and such a process leads to the formation of Janus-type platinum dichalcogenides (XPtY, where X and Y stand for S, Se, or Te) which are novel single-layer crystals. While all Janus structures are indirect band gap semiconductors as their binary analogues, their Raman spectra show distinctive features that stem from the broken out-of-plane symmetry. In addition, it is revealed that the construction of Janus crystals enhances the piezoelectric constants of PtX2 crystals significantly both in the in plane and in the out-of-plane directions. Moreover, it is shown that vertically stacked van der Waals heterostructures of binary and ternary (Janus) platinum dichalcogenides offer a wide range of electronic features by forming bilayer heterojunctions of type-I, type-II, and type-III, respectively. Our findings reveal that Janus-type ultrathin platinum dichalcogenide crystals are quite promising materials for optoelectronic device applications.Article Citation - WoS: 72Citation - Scopus: 77Gd3+-Doped Alpha-Cspbi3 Nanocrystals With Better Phase Stability and Optical Properties(American Chemical Society, 2019) Güvenç, Çetin Meriç; Yalçınkaya, Yenal; Özen, Sercan; Şahin, Hasan; Demir, Mustafa MuammerBlack alpha-CsPbI3 perovskites are unable to maintain their phase stability under room conditions; hence, the alpha-CsPbI3 phase transforms into a thermodynamically stable yellow delta-CsPbI3 phase within a few days, which has a nonperovskite structure and high band gap for optoelectronic applications. This phase transformation should be prevented or at least retarded to make use of superior properties of alpha-CsPbI3 in optoelectronic applications. In this study, Gd3+ doping was employed with the aim of increasing the stability of alpha-CsPbI3. All doped alpha-CsPbI3 nanocrystals with various levels of Gd3+, between 5 and 15 mol %, have shown greater phase stability than that of the pure alpha-CsPbI3 phase from 5 days up to 11 days under ambient conditions. This prolonged phase stability can be attributed to three potential reasons: increased tolerance factor of the perovskite structure, distorted cubic symmetry, and decreased defect density in nanocrystals. Urbach energy values suggest the reduction of defect density in the doped nanocrystals. Also, use of 10 mol % Gd3+ as a dopant material increases the photoluminescence quantum yield from 70 to 80% and fluorescence lifetime of alpha-CsPbI3 from 47.4 to 64.4 ns. Further, density functional theory calculations are in a good agreement with the experimental results.Article Citation - WoS: 15Citation - Scopus: 15Vertical van der waals heterostructure of single layer InSe and SiGe(American Chemical Society, 2019) Eren, İsmail; Özen, Sercan; Sözen, Yiğit; Yağmurcukardeş, Mehmet; Şahin, HasanWe present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications.Article Citation - WoS: 7Citation - Scopus: 7Fabrication of a Postfunctionalizable, Biorepellent, Electroactive Polyurethane Interface on a Gold Surface by Surface-Assisted Polymerization(American Chemical Society, 2020) Özenler, Sezer; Sözen, Yiğit; Şahin, Hasan; Yıldız, Ümit HakanThis study describes surface-assisted (SurfAst) urethane polymerization, providing a modular/postfunctionalizable, biorepellent, electroactive similar to 10 to 100 nm-thick polyurethane (PU) interface on a gold surface. SurfAst is a functionalization methodology based on sequential incubation steps of alkane diisocyanates and alkanediol monomers. The gold surface is functionalized by alkane diisocyanates in the first incubation step, and our theoretical calculations reveal that while the isocyanate group atoms (N, C, and O) at one end of the molecule exhibits strong interactions (similar to 900 meV) with surface atoms, the other end group remains unreacted. After the first incubation step, sequential alkanediol and alkane diisocyanate incubations provide formation of the PU interface. The extensive analysis of the PU interface has been conducted via X-ray photoelectron spectroscopy, and the chemical mapping verifies that the interface is made of PU moieties. The topographical analysis of the surface conducted by the atomic force microscopy shows that the PU interface consists of mostly a nanoporous texture with 150 nm total roughness. The adherence force mapping of the PU interface reveals that the nanoporous matrix exhibits an adhesion force of about 14 nN. The electrostatic force microscopy characterizing long-range electrostatic interactions (40 nm) shows that the PU interface has been attracted by positively charged species as compared to negative objects. Finally, it is demonstrated that the PU interface is readily postfunctionalizable by polyethylene glycol (PEG 1000), serving as a biorepellent interface and preserving electroactivity. We foresee that SurfAst polymerization will have potential for the facile fabrication of a postfunctionalizable and modular biointerface which might be utilized for biosensing and bioelectronic applications.Article Citation - WoS: 17Citation - Scopus: 17Monitoring the Doping and Diffusion Characteristics of Mn Dopants in Cesium Lead Halide Perovskites(American Chemical Society, 2018) Güner, Tuğrul; Akbalı, Barış; Özcan, Mehmet; Topçu, Gökhan; Demir, Mustafa Muammer; Şahin, HasanCesium lead perovskites, in the form of CsPbX3 or Cs4PbX6, have been widely used for various optoelectronic applications due to their exceptionally good optical properties. In this study, the effect of Mn doping on the structural and optical properties of cesium lead halide perovskite crystals are investigated from both experimental and theoretical points of view. It is found that adding MnCl2 during the synthesis not only leads to a Mn-driven structural phase transition from Cs4PbBr6 to CsPbCl3 but also triggers the Br- to Cl- halide exchange. On the other hand, it is observed that, under UV illumination, the color of Mn-doped crystals changes from orange to blue in approximately 195 h. While the intensity of Mn-originated photoluminescence emission exponentially decays in time, the intensity of CsPbCl3-originated emission remains unchanged. In addition, diffusive motion of Mn ions results in both a growing population of MnO2 at the surface and transition of the host into a cesium-rich Cs4PbCl6 phase.Article Citation - WoS: 63Citation - Scopus: 64Vacancy Formation and Oxidation Characteristics of Single Layer Tis3(American Chemical Society, 2015) İyikanat, Fadıl; Şahin, Hasan; Senger, Ramazan Tugrul; Peeters, François M.The structural, electronic, and magnetic properties of pristine, defective, and oxidized monolayer TiS3 are investigated using first-principles calculations in the framework of density functional theory. We found that a single layer of TiS3 is a direct band gap semiconductor, and the bonding nature of the crystal is fundamentally different from other transition metal chalcogenides. The negatively charged surfaces of single layer TiS3 makes this crystal a promising material for lubrication applications. The formation energies of possible vacancies, i.e. S, Ti, TiS, and double S, are investigated via total energy optimization calculations. We found that the formation of a single S vacancy was the most likely one among the considered vacancy types. While a single S vacancy results in a nonmagnetic, semiconducting character with an enhanced band gap, other vacancy types induce metallic behavior with spin polarization of 0.3-0.8 μB. The reactivity of pristine and defective TiS3 crystals against oxidation was investigated using conjugate gradient calculations where we considered the interaction with atomic O, O2, and O3. While O2 has the lowest binding energy with 0.05-0.07 eV, O3 forms strong bonds stable even at moderate temperatures. The strong interaction (3.9-4.0 eV) between atomic O and TiS3 results in dissociative adsorption of some O-containing molecules. In addition, the presence of S-vacancies enhances the reactivity of the surface with atomic O, whereas it had a negative effect on the reactivity with O2 and O3 molecules.