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: 14Citation - Scopus: 17Enhancement of Thermoelectric Efficiency of T-Hfse2 Via Nanostructuring(American Physical Society, 2021) Ünsal, Elif; Senger, Ramazan Tuğrul; Sevinçli, HaldunIn this work, ab initio calculations based on density functional theory and the Landauer formalism are carried out to investigate ballistic thermoelectric properties of T-HfSe2 nanoribbons (NRs). The zigzag-edged NRs are metallic, and they are not included in this study. The armchair NRs possess two types of edge symmetries depending on the number of atoms present in a row; odd-numbered NRs have mirror symmetry, whereas the even-numbered NRs have glide reflection symmetry. The armchair-edged NRs are dynamically stable and show semiconducting properties with varying band gap values in the infrared and visible regions. Detailed transport analyses show that the n-type Seebeck coefficient and the power factor differ because of the structural symmetry, whereas the p-type thermoelectric coefficients are not significantly influenced. It is shown that the phonon thermal conductance is reduced to a third of its two-dimensional value via nanostructuring. The p-type Seebeck coefficient and the power factor for T-phase HfSe(2 )are enhanced in NRs. We report that the p-type ZT value of HfSe2 NRs at 300 and 800 K are enhanced by factors of 4 and 3, respectively.Article Citation - WoS: 7Citation - Scopus: 7Effects of Random Atomic Disorder on the Magnetic Stability of Graphene Nanoribbons With Zigzag Edges(American Physical Society, 2018) Çakmak, Korhan Ertan; Altıntaş, Abdulmenaf; Güçlü, Alev DevrimWe investigate the effects of randomly distributed atomic defects on the magnetic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. For a balanced defect distribution among the sublattices of the honeycomb lattice in the bulk region of the ribbon, the ground-state antiferromagnetism of the edge states remains unaffected. By analyzing the excitation spectrum, we show that while the antiferromagnetic ground state is susceptible to single spin-flip excitations from edge states to magnetic defect states at low defect concentrations, its overall stability is enhanced with respect to the ferromagnetic phase.Article Citation - WoS: 3Citation - Scopus: 3Monolayer Aste2: Stable Robust Metal in 2d, 1d and 0d(Wiley, 2018) Badalov, S. V.; Kandemir, Ali; Şahin, HasanThe structural, phononic, and electronic properties of the monolayer structures of AsTe2 are characterized by performing density functional theory (DFT) calculations. Total energy optimization and phonon calculations reveal that single layers of the 2H-AsTe2 and 1T-AsTe2 phases form dynamically stable crystal structures. Electronic structure analysis also shows that both 2H and 1T phases have nonmagnetic metallic character. It is also predicted that the metallic nature of the ultra-thin both 2H-AsTe2 and 1T-AsTe2 structures remain unchanged even under high biaxial strain values. For further examination of the dimensionality effect in the robust metallicity in 2D AsTe2 phases, electronic characteristics of 1D nanoribbons and 0D quantum dots are also investigated. It is found that independent from the dimension and crystallographic orientations 0D and 1D structures of 2H- and 1T-AsTe2 structures have metallic behavior. It is found that single layers of AsTe2 are quite promising materials for nanodevice applications owing to the robust metallic character.Article Citation - WoS: 7Citation - Scopus: 7Effects of Interedge Scattering on the Wigner Crystallization in Graphene Nanoribbons(American Physical Society, 2017) Modarresi, Mohsen; Güçlü, Alev DevrimWe investigate the effects of coupling between the two zigzag edges of graphene nanoribbons on the Wigner crystallization of electrons and holes using a combination of tight-binding, mean-field Hubbard and many-body configuration interaction methods. We show that the thickness of the nanoribbon plays a crucial role in the formation of Wigner crystal. For ribbon widths smaller than 16 Å, increased kinetic energy overcomes the long-range Coulomb repulsion and suppresses the Wigner crystallization. For wider ribbons up to 38 Å wide, strong Wigner localization is observed for an even number of electrons, revealing an even-odd effect also found in the Coulomb-blockade addition spectrum. Interedge correlations are found to be strong enough to allow simultaneous crystallization on both edges, although an applied electric field can decouple the two edges. Finally, we show that Wigner crystallization can also occur for holes, albeit weaker than for electrons.Article Citation - WoS: 16Citation - Scopus: 16Magnetic Phases of Graphene Nanoribbons Under Potential Fluctuations(American Physical Society, 2016) Özdemir, Hakan Ulaş; Altıntaş, Abdulmenaf; Güçlü, Alev DevrimWe investigate the effects of long-range potential fluctuations and electron-electron interactions on the electronic and magnetic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. We show that electron-electron interactions make the edge states robust against potential fluctuations. When the disorder is strong enough, the presence of electron-hole puddles induces a magnetic phase transition from antiferromagnetically coupled edge states to ferromagnetic coupling, in agreement with recent experimental results.Article Citation - WoS: 88Citation - Scopus: 93Nanoribbons: From Fundamentals To State-Of Applications(American Institute of Physics, 2016) Yağmurcukardeş, Mehmet; Peeters, François M.; Senger, Ramazan Tuğrul; Şahin, HasanAtomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed.Article Citation - WoS: 67Citation - Scopus: 66Tis3 Nanoribbons: Width-Independent Band Gap and Strain-Tunable Electronic Properties(American Physical Society, 2015) Kang, Jun; Şahin, Hasan; Özaydın, H. Duygu; Senger, Ramazan Tuğrul; Peeters, François M.The electronic properties, carrier mobility, and strain response of TiS3 nanoribbons (TiS3 NRs) are investigated by first-principles calculations. We found that the electronic properties of TiS3 NRs strongly depend on the edge type (a or b). All a-TiS3 NRs are metallic with a magnetic ground state, while b-TiS3 NRs are direct band gap semiconductors. Interestingly, the size of the band gap and the band edge position are almost independent of the ribbon width. This feature promises a constant band gap in a b-TiS3 NR with rough edges, where the ribbon width differs in different regions. The maximum carrier mobility of b-TiS3 NRs is calculated by using the deformation potential theory combined with the effective mass approximation and is found to be of the order 103cm2V-1s-1. The hole mobility of the b-TiS3 NRs is one order of magnitude lower, but it is enhanced compared to the monolayer case due to the reduction in hole effective mass. The band gap and the band edge position of b-TiS3 NRs are quite sensitive to applied strain. In addition we investigate the termination of ribbon edges by hydrogen atoms. Upon edge passivation, the metallic and magnetic features of a-TiS3 NRs remain unchanged, while the band gap of b-TiS3 NRs is increased significantly. The robust metallic and ferromagnetic nature of a-TiS3 NRs is an essential feature for spintronic device applications. The direct, width-independent, and strain-tunable band gap, as well as the high carrier mobility, of b-TiS3 NRs is of potential importance in many fields of nanoelectronics, such as field-effect devices, optoelectronic applications, and strain sensors.Article Citation - WoS: 22Citation - Scopus: 22Electronic and Magnetic Properties of 1t-Tise2 Nanoribbons(IOP Publishing Ltd., 2015) Özaydın, H. Duygu; Şahin, Hasan; Kang, J.; Peeters, François M.; Şenger, Ramazan TuğrulMotivated by the recent synthesis of single layer TiSe2,we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchairedged nanoribbons (NRs) of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 NRs have some distinctive properties. The electronic band gap of the NRs decreases exponentially with the width and vanishes for ribbons wider than 20 Å. For ultranarrow zigzag-edged NRs we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and arm chair edged ribbons have non-magnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase NRs of similar crystal structures.Article Citation - WoS: 45Citation - Scopus: 47Impedimetric Detection of Pathogenic Bacteria With Bacteriophages Using Gold Nanorod Deposited Graphite Electrodes(Royal Society of Chemistry, 2016) Moghtader, Farzaneh; Çongur, Gülşah; Zareie, Hadi M.; Erdem, Arzum; Pişkin, ErhanElectrochemical impedance spectroscopy (EIS) is applied for the detection of bacteria using bacteriophages as a bioprobe together with gold nanorods (GNRs). Escherichia coli-E. coli K12 was used as a model target bacteria and also for the propagation of its specific T4-phages. Gold nanorods (GNRs) were synthesized via a two-step protocol and characterized using different techniques. EIS measurements were conducted in an electrochemical cell consisting of a three electrode system. Single-use pencil graphite electrodes (PGE) were modified by the physical adsorption of GNRs to increase their interfacial conductivity and therefore sensitivity for impedimetric measurements. Therefore, interfacial charge-transfer resistance values (Rct) sharply decreased after GNRs deposition. Phages were adsorbed on these electrodes via a simple incubation protocol at room temperature, which resulted in an increase in Rct values, which was concluded to be as a result of nonconductive phage layers. These phage-carrying GNRs-PGEs were used for impedimetric detection of the target bacteria, E. coli. Significant increases at the Rct values were observed which were attributed to the insulation effects of the adsorbed bacterial layers. This increase was even more when the bacterial concentrations were higher. In the case of the non-target bacteria Staphylococcus aureus (S. aureus), conductivity noticeable decreases (due to nonspecific adsorption). However, in the case of E. coli, the Rct value increase is time dependent and reaches maximum in about 25-30 min, then decreases gradually as a result of bacterial lysis due to phage invasion on the electrode surfaces. In contrast, there were no time dependent changes with the non-target bacteria S. aureus (no infection and no lytic activity). It is concluded that the target bacteria could be detected using this very simple and inexpensive detection protocol with a minimum detection limit of 103 CFU mL-1 in approximately 100 μL bacterial suspension.Article Citation - WoS: 3Citation - Scopus: 3Gold Nanorod Encapsulated Bubbles(Royal Society of Chemistry, 2015) Tomak, Aysel; Zareie, Hadi M.A simple method has been described for synthesizing gold nanorods (GNRs) encapsulated bubbles in a controlled manner. The method involves the use of nitrogen gas in the seed-mediated synthesis method routinely used for synthesis of GNRs. Control over the morphology of the nanostructures was achieved by nitrogen gas flow. The synthesized structures were examined by UV-Vis Spectroscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). New structures of this type could conceivably serve as plasmonic biosensors, nanodevices and photothermal theranostics with dual modality imaging functionality. © The Royal Society of Chemistry 2015.