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Sözen, Yiğit
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01. Izmir Institute of Technology
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Sustainable Development Goals
1NO POVERTY
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2ZERO HUNGER
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3GOOD HEALTH AND WELL-BEING
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4QUALITY EDUCATION
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5GENDER EQUALITY
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6CLEAN WATER AND SANITATION
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7AFFORDABLE AND CLEAN ENERGY
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8DECENT WORK AND ECONOMIC GROWTH
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9INDUSTRY, INNOVATION AND INFRASTRUCTURE
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10REDUCED INEQUALITIES
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11SUSTAINABLE CITIES AND COMMUNITIES
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12RESPONSIBLE CONSUMPTION AND PRODUCTION
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15
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14
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71413/3537
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1
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WoS Citation Count
90
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95
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WoS Citations per Publication
6.00
Scopus Citations per Publication
6.33
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9
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1
| Journal | Count |
|---|---|
| Applied Surface Science | 3 |
| Balkan Journal of Geometry and its Applications | 1 |
| Computational Condensed Matter | 1 |
| Geothermics | 1 |
| Inorganic Chemistry Frontiers | 1 |
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Now showing 1 - 10 of 15
Article Citation - WoS: 5Citation - Scopus: 5Raman and Optical Characteristics of Van Der Waals Heterostructures of Single Layers of Gap and Gase: a First-Principles Study(Royal Society of Chemistry, 2021) Sözen, Yiğit; Şahin, Hasan; 01. Izmir Institute of Technology; 04.04. Department of Photonics; 04. Faculty of ScienceOne of the effective methods to modulate or improve the fundamental properties of 2D van der Waals materials is building their heterostructures. In this study, we employ first-principles calculations based on density functional theory to predict the ground state properties of vertically aligned single layer crystals of GaP and GaSe. First, it is shown that, depending on the intimate contact atoms in GaP, the crystal formation of heterostructures displaying characteristics of type-I and type-II heterojunctions is possible. Here, the quasiparticle bandgaps for the spatially direct and indirect electronic transitions are calculated to be 2.70 and 1.78 eV, respectively. Vibrational analysis not only reveals the dynamic stability of the heterostructures but also allows the calculation of the Raman activity spectrum of each structure, providing a fingerprint of the stacking type. In addition, by solving the BSE equation on top of G(0)W(0) approximation, the optical gaps, reflectance and transmittance spectra of the heterostructures are determined. The calculated absorption spectra demonstrate that the spectral position and characteristics of the optical transitions are altered depending on the heterojunction type. Furthermore, it is found that the interband and intraband transitions in the GaP/GaSe heterostructures can also be monitored via their reflectance and transmittance spectra.Article Citation - WoS: 5Citation - Scopus: 6Toward Single-Layer Janus Crystals: Off-Balance Materials From Synthesis To Nanotechnology Applications(American Institute of Physics, 2021) Yıldız, Ümit Hakan; Şahin, Hasan; Sözen, Yiğit; Özkendir İnanç, Dilce; Yıldız, Ümit Hakan; Şahin, Hasan; 04.01. Department of Chemistry; 01. Izmir Institute of Technology; 04.04. Department of Photonics; 04. Faculty of ScienceThe existence of things is directly related to their structural symmetry in a broad framework ranging from atoms to crystalline materials and from simple cells to complex organisms like humans. However, structural imbalance that occurs through natural or artificial means can provide completely different advantages. Molecules, crystals, and complex structures with structural imbalance constitute the family of Janus-type materials. This perspective provides a comprehensive discussion on the synthesis techniques of Janus-type materials, their use in fields from biology to materials science, and very recent studies on the family of 2D ultrathin graphene-like structures. We believe that, thanks to the advances in experimental techniques, the few-atom-sized off-balanced materials will be indispensable parts of the nanotechnology products that soon will be used in our daily lives.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; Özenler, Sezer; Sözen, Yiğit; Sözen, Yiğit; Şahin, Hasan; Yıldız, Ümit Hakan; Yıldız, Ümit Hakan; Şahin, Hasan; 04.01. Department of Chemistry; 01. Izmir Institute of Technology; 04.04. Department of Photonics; 04. Faculty of ScienceThis 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: 1Interaction of Ge With Single Layer Gaas: From Ge-Island Nucleation To Formation of Novel Stable Monolayers(Elsevier, 2020) Sözen, Yiğit; Şahin, Hasan; Eren, İsmail; Sözen, Yiğit; Özen, Sercan; Yağmurcukardeş, Mehmet; Yağmurcukardeş, Mehmet; Eren, İsmail; Şahin, Hasan; 04.05. Department of Pyhsics; 04.04. Department of Photonics; 01. Izmir Institute of Technology; 04. Faculty of ScienceIn this study, reactivity of single-layer GaAs against Ge atoms is studied by means of ab initio density functional theory calculations. Firstly, it is shown that Ge atoms interact quite strongly with the GaAs layer which allows the formation of Ge islands while it hinders the growth of detached germanene monolayers. It is also predicted that adsorption of Ge atoms on GaAs single-layer lead to formation of two novel stable single-layer crystal structures, namely 1H-GaGeAs and 1H(A)-GaGeAs. Both the total energy optimizations and the calculated vibrational spectra indicate the dynamical stability of both single layer structures. Moreover, although both structures crystallize in 1H phase, 1H-GaGeAs and 1H(A)-GaGeAs exhibit distinctive vibrational features in their Raman spectra which is quite important for distinguishing the structures. In contrast to the semiconducting nature of single-layer GaAs, both polytypes of GaGeAs exhibit metallic behavior confirmed by the electronic band dispersions. Furthermore, the linear-elastic constants, in-plane stiffness and Poisson ratio, reveal the ultrasoft nature of the GaAs and GaGeAs structures and the rigidity of GaAs is found to be slightly enhanced via Ge adsorption. With their stable, ultra-thin and metallic properties, predicted single-layer GaGeAs structures can be promising candidates for nanoscale electronic and mechanical applications.Article Citation - WoS: 6Citation - Scopus: 7Interface-Dependent Phononic and Optical Properties of Geo/Moso Heterostructures(Royal Society of Chemistry, 2022) Yağmurcukardeş, Mehmet; Sözen, Yiğit; Sözen, Yiğit; Peeters, François M.; Şahin, Hasan; Şahin, Hasan; Yağmurcukardeş, Mehmet; 04.04. Department of Photonics; 01. Izmir Institute of Technology; 04. Faculty of ScienceThe interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayers, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The electronic band dispersions show that O/Ge and S/O interface formations result in a type-II band alignment with direct and indirect band gaps, respectively. In contrast, O/O and S/Ge interfaces give rise to the formation of a type-I band alignment with an indirect band gap. By considering the Bethe-Salpeter equation (BSE) on top of G0W0 approximation, it is shown that different interfaces can be distinguished from each other by means of the optical absorption spectra as a consequence of the band alignments. Additionally, the low-and high-frequency regimes of the Raman spectra are also different for each interface type. The alignment of the individual dipoles, which is interface-dependent, either weakens or strengthens the net dipole of the heterobilayers and results in tunable piezoelectric coefficients. The results indicate that the possible heterobilayers of b-GeO/MoSO asymmetric structures possess various electronic, optical, and piezoelectric properties arising from the different interface formations and can be distinguished by means of various spectroscopic techniques.Master Thesis Identification of Single-Layer Crystalline Structures Through Their Electronic and Optical Properties(01. Izmir Institute of Technology, 2021) Sözen, Yiğit; Şahin, Hasan; Şahin, Hasan; Balcı, Sinan; 01. Izmir Institute of Technology; 04.04. Department of Photonics; 04. Faculty of ScienceA large number of two-dimensional (2D) van der Waals type materials have become a focus of interest in many scientific fields, ever since the thinnest carbon compound, graphene, takes to the stage with its exceptional electronic properties. The outstanding electronic behavior resulting from quantum size effects requires an investigation of the electronic and optical features of materials at the atomic scale. The understanding of such properties of matter within the framework of the theoretical approaches is the first step to shed light on the discovery of electronic and optoelectronic devices including brand new features. This thesis discusses the identification of electronic and optical properties of several types of atomically thin crystals, consisting of 2D and lead-free perovskite structures, by means of density functional theory (DFT). In the first study, primarily, the strong interaction mechanism between Ge atom and single-layer GaAs was studied starting from single atom adsorption to detached germanene layer formation. Following that dynamically stable metallic structures of Janus and alloy type GaGeAs crystals are discovered by performing one-sided and alternated decoration of GaAs single-layer with Ge atoms, respectively. %The Raman spectroscopy is found to be applicable for phase detection as the theoretically calculated Raman spectra of each polytype exhibit distinctive signals. In the second study, bulk and dynamically stable ultra-thin structures of lead-free CsMnCl$_3$ are discussed. According to total energy and electronic band structure calculations, bulk, bilayer, and single-layer structures of CsMnCl$_3$ are robust antiferromagnetic insulators. In third and fourth chapters are devoted to the identification of different stacking types of GaP/GaSe heterobilayers, and two different hexagonal phases of single-layer Germanium Oxide by means of electronic and optical characterization tools, respectively. In these studies, for the purpose of providing an accurate solution for the prediction of absorption, reflectance, and transmission spectra of materials, excitonic effects are considered by employing Bethe-Salpeter formalism following the $G_0W_0$ approximation. Wide range of atomically thin crystal structures studied within the framework of this thesis are verified to be promising candidates for the development of future nano-sized electronic and optoelectronic device applications thanks to their attractive electronic and optical properties arising from strong quantum confinement effects.Article Citation - WoS: 2Citation - Scopus: 2Magnetic Single-Layer Nanoribbons of Manganese Oxide: Edge- and Width-Dependent Electronic Properties(Royal Society of Chemistry, 2022) Sözen, Yiğit; Topkıran, Uğur; Sözen, Yiğit; Şahin, Hasan; 01. Izmir Institute of Technology; 04.04. Department of Photonics; 04. Faculty of ScienceIn the present work, the structural, magnetic, and electronic properties of the two- and one-dimensional honeycomb structures of recently synthesized MnO [Zhang et al., Hexagonal metal oxide monolayers derived from the metal-gas interface, Nat. Mater., 2021, 20, 1073-1078] are investigated by using first-principles calculations. Our calculations show that the single-layer 2D MnO crystal has a degenerate antiferromagnetic (AFM) ground state and a relatively less favorable ferromagnetic (FM) state. In addition, the magnetic anisotropy calculations unveil that the easy-axis direction for magnetism originating from unpaired electron states in manganese atoms is normal to the crystal plane. Electronically, while the FM MnO is a direct semiconductor with a narrow bandgap, AFM phases display large indirect bandgap semiconducting behavior. Moreover, the calculations on nanoribbons of MnO reveal that zigzag-edged ribbons display metallic behaviors, whereas armchair-edged nanoribbons are semiconductors. Magnetically, for both zigzag- or armchair-edged nanoribbons, the AFM order perpendicular to the nanoribbon growth direction is found to be favorable over the other AFM and FM orders. Moreover, depending on the edge symmetry and ribbon width, forbidden bandgap values of nanoribbons display distinct family behaviors.Article Citation - WoS: 15Citation - Scopus: 15Vertical van der waals heterostructure of single layer InSe and SiGe(American Chemical Society, 2019) Eren, İsmail; Şahin, Hasan; Özen, Sercan; Yağmurcukardeş, Mehmet; Sözen, Yiğit; Eren, İsmail; Yağmurcukardeş, Mehmet; Sözen, Yiğit; Şahin, Hasan; 04.05. Department of Pyhsics; 04.04. Department of Photonics; 01. Izmir Institute of Technology; 04. Faculty of ScienceWe 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: 2Citation - Scopus: 5Experimental Modeling of Antimony Sulfides-Rich Geothermal Deposits and Their Solubility in the Presence of Polymeric Antiscalants(Elsevier, 2022) Karaburun, Emre; Sözen, Yiğit; Sözen, Yiğit; Şahin, Hasan; Baba, Alper; Baba, Alper; Yeşilnacar, Mehmet İrfan; Şahin, Hasan; Demir, Mustafa Muammer; Demir, Mustafa Muammer; 01. Izmir Institute of Technology; 04.04. Department of Photonics; 03.03. Department of Civil Engineering; 03.09. Department of Materials Science and Engineering; 03. Faculty of Engineering; 04. Faculty of ScienceAntimony (Sb)-rich geothermal deposits have been observed in many geothermal power plants worldwide. They occur as red-colored, sulfidic precipitates disturbing energy-harvesting by clogging the geothermal installations. In order to prevent the formation of this scale, information on its physicochemical features is needed. For this purpose, Sb-rich sulfide-based deposits were synthesized at controlled conditions in a pressurized glass reactor at geothermal conditions (135 °C and 3.5 bar). Various polymeric antiscalants with different functional groups, such as acrylic acid, sulphonic acid, and phosphonic acid groups were tested for their effect on Sb sulfide solubility. An additional computational study was performed to determine the binding energy of Sb and S atoms to these groups. The results suggest that sulfonic acid groups are the most affective. Therefore, it was concluded that these macromolecule containing sulfonic acid groups and poly (vinyl sulfonic acid) derivatives could potentially act as antiscalants for the formation of antimony sulfide.Article Citation - WoS: 10Citation - Scopus: 10Vibrational and Optical Identification of Geo2 and Geo Single Layers: a First-Principles Study(Royal Society of Chemistry, 2021) Sözen, Yiğit; Yağmurcukardeş, Mehmet; Şahin, Hasan; 04.04. Department of Photonics; 01. Izmir Institute of Technology; 04. Faculty of ScienceIn the present work, the identification of two hexagonal phases of germanium oxides (namely GeO2 and GeO) through the vibrational and optical properties is reported using density functional theory calculations. While structural optimizations show that single-layer GeO2 and GeO crystallize in 1T and buckled phases, phonon band dispersions reveal the dynamical stability of each structure. First-order off-resonant Raman spectral predictions demonstrate that each free-standing single-layer possesses characteristic peaks that are representative for the identification of the germanium oxide phase. On the other hand, electronic band dispersion analysis shows the insulating and large-gap semiconducting nature of single-layer GeO2 and GeO, respectively. Moreover, optical absorption, reflectance, and transmittance spectra obtained by means of G(0)W(0)-BSE calculations reveal the existence of tightly bound excitons in each phase, displaying strong optical absorption. Furthermore, the excitonic gaps are found to be at deep UV and visible portions of the spectrum, for GeO2 and GeO crystals, with energies of 6.24 and 3.10 eV, respectively. In addition, at the prominent excitonic resonances, single-layers display high reflectivity with a zero transmittance, which is another indication of the strong light-matter interaction inside the crystal medium.