Physics / Fizik
Permanent URI for this collectionhttps://hdl.handle.net/11147/6
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Article Citation - WoS: 9Citation - Scopus: 8Chlorinated Phosphorene for Energy Application(Elsevier, 2024) Hassani, Nasim; Yağmurcukardeş, Mehmet; Peeters, Francois M.; Neek-Amal, MehdiThe influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries.Article Citation - WoS: 3Citation - Scopus: 3Stable Single Layer Structures of Aluminum Oxide: Vibrational and Electronic Characterization of Magnetic Phases(Elsevier, 2022) Özyurt, A. Kutay; Molavali, Deniz; Şahin, HasanThe structural, magnetic, vibrational and electronic properties of single layer aluminum oxide (AlO2) are investigated by performing state-of-the-art first-principles calculations. Total energy optimization and phonon calculations reveal that aluminum oxide forms a distorted octahedral structure (1T′-AlO2) in its single layer limit. It is also shown that surfaces of 1T′-AlO2 display magnetic behavior originating from the O atoms. While the ferromagnetic (FM) state is the most favorable magnetic order for 1T′-AlO2, transformation to a dynamically stable antiferromagnetic (AFM) state upon a slight distortion in the crystal structure is also possible. It is also shown that Raman activities (350–400 cm−1) obtained from the vibrational spectrum can be utilized to distinguish the possible magnetic phases of the crystal structure. Electronically, both FM and the AFM phases are semiconductors with an indirect band gap and they can form a type-III vdW heterojunction with graphene-like ultra-thin materials. Moreover, it is predicted that presence of oxygen defects that inevitably occur during synthesis and production do not alter the magnetic state, even at high vacancy density. Apparently, ultra-thin 1T′-AlO2 with its stable crystal structure, semiconducting nature and robust magnetic state is a quite promising material for nanoscale device applications.Article Citation - WoS: 4Citation - Scopus: 4Development of Single-Use Thin Film Electrodes Based on Zn2sno4 on In2o3:sno2 Substrates With Their Biosensing Applications(Elsevier, 2022) Yurttaş, Betül; Maral, Meltem; Erdem, Arzu; Özyüzer, LütfiDopamine (DA) has a significant impact on the emergence and treatment of certain diseases (e.g., Alzheimer's and Parkinson's diseases). Therefore, monitoring of DA is important, and using biosensors is a favorable option instead of time-consuming and expensive conventional methods. In biosensor manufacturing, thin films have become a rapidly emerging field. In this study, a non-enzymatic electrochemical biosensor based on thin film electrodes is developed for monitoring DA levels. The thin film electrodes (ZTO/ITO) are developed by deposition of Zn2SnO4 (ZTO) on In2O3:SnO2 (ITO) substrates by magnetron sputtering. 3-aminopropyltriethoxysilane (APTES) is used to modify the surface of these electrodes. Physical, optical, and structural properties of the electrodes are determined by applying surface profilometry, UV–VIS–NIR spectrophotometry, X-ray diffraction (XRD), and scanning electron microscopy (SEM) measurements. According to these measurements, it has been observed that the ZTO/ITO combination has a higher optical transmission value than the bare ITO, depending on the deposition time and the oxygen concentration used during ZTO deposition. In addition, the ITO thin film has a crystalline structure, while the ZTO thin film has an amorphous structure and both thin films have a good surface morphology. As electrochemical analysis, cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and differential pulse voltammetry (DPV) measurements are performed. As a result of CV and EIS measurements, a remarkable change (63.54%) was observed after applying APTES modification onto the surface of ZTO/ITO electrode, and the ones obtained by DPV showed successful detection of DA by APTES modified ZTO/ITO. In addition, the experiments in the presence of interferences such as ascorbic acid (AA), uric acid (UA), bovine serum albumin (BSA), and fish sperm double-stranded DNA (fsDNA) show that the electrodes can be successfully applied for voltammetric determination of DA. The detection limit of DA was estimated to be 0.013 µM in the range of DA between 0.1 and 1 µM, and sensitivity was calculated and found to be 11.057 μA μg−1 mL cm−2, which means ZTO/ITO electrodes have a good sensitivity.Article Citation - WoS: 11Citation - Scopus: 10Intercalation Leads To Inverse Layer Dependence of Friction on Chemically Doped Mos2(IOP Publishing, 2023) Açıkgöz, Oğulcan; Guerrero, Enrique; Yanılmaz, Alper; Dağdeviren, Ömür E.; Çelebi, Cem; Strubbe, David A.; Baykara, Mehmet Z.We present results of atomic-force-microscopy-based friction measurements on Re-doped molybdenum disulfide (MoS2). In stark contrast to the widespread observation of decreasing friction with increasing number of layers on two-dimensional (2D) materials, friction on Re-doped MoS2 exhibits an anomalous, i.e. inverse, dependence on the number of layers. Raman spectroscopy measurements combined with ab initio calculations reveal signatures of Re intercalation. Calculations suggest an increase in out-of-plane stiffness that inversely correlates with the number of layers as the physical mechanism behind this remarkable observation, revealing a distinctive regime of puckering for 2D materials.Article Citation - WoS: 4Citation - Scopus: 4Indirect Exchange Interaction in Two-Dimensional Materials With Quartic Dispersion(American Physical Society, 2022) Canbolat, Ahmet Utku; Sevinçli, Haldun; Çakır, ÖzgürWe investigate the indirect magnetic exchange interaction between two magnetic moments in a two-dimensional semiconductor with quartic dispersion, featuring a singularity at the band edge. We obtain the Green's functions analytically to calculate the magnetic exchange interaction at zero temperature. We show that the singularity in the density of states (DOS) for quartic dispersion gives rise to an enhancement in the amplitude of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction as the Fermi energy is swept toward the band edge. Furthermore, a region of finite exchange interaction arises, with a range increasing as the Fermi energy approaches the band edge. The results lay the possibility of an electrical/chemical control over the exchange interactions.Article Citation - WoS: 4Citation - Scopus: 4Light-Induced Modification of the Schottky Barrier Height in Graphene/Si Based Near-Infrared Photodiodes(Elsevier, 2022) Fidan, Mehmet; Dönmez, Gülçin; Yanılmaz, Alper; Ünverdi, Özhan; Çelebi, CemThe impact of light on the Schottky barrier height (SBH) in p-type graphene/n-type Si (p-Gr/n-Si) based near-infrared photodiodes is investigated. Hall effect and optoelectronic transport measurements carried out under illumination of 905 nm wavelength light showed that zero-bias SBH in such photodiodes can be effectively tuned in a range between 0.7 and 0.9 eV consistent with the variation in their open-circuit voltage. Shockley-Read-Hall model, which considers the charge recombination through mid-gap and interface states at the p-Gr/n-Si heterojunction, is used to explain the experimentally observed nonlinear dependence of SBH on the incident light. Light induced tunability of SBH at the graphene/semiconductor heterojunction is of great importance especially for the development of new generation optically driven devices in which graphene acts as a functioning element.Article Citation - WoS: 6Citation - Scopus: 6Nanolitography Based on Electrospun and Etched Nanofibers(Elsevier, 2021) Noori, Aileen; Döğer, Hilal; Demirhan, Yasemin; Özdemir, Mehtap; Özyüzer, Lütfi; Aygün, Gülnur; Sağlam, ÖzgeIn this study, we propose a new type of nanolithography procedure to fabricate orderly patterned metallic nanostructures using the electrohydrodynamic method and the reactive ion etching process. The electrohydrodynamic process parameters were tuned so as to create patterning with precision, and fibers in nanoscale on silver-coated substrates. We also studied reactive ion etching with different durations on the well-patterned samples. The experiments show that applying a voltage of 400 V resulted in straight patterned fibers with a diameter of 208.7 ? 30.3 nm. The statistical analysis on scanning electron microscope (SEM) images showed a significant difference in the diameter of the fibers fabricated at 400 V compared to those at 500 V and 600 V. We also confirm that the etching process has no affect on the fiber diameter. Moreover, electron dispersive X-Ray spectrometer (EDX) results suggest that an etching duration of 7 min is sufficient to remove the silver coating that is not covered with the fibers, and protect the silver nanostructures underneath the fibers. Utilizing a lowcost nanolithography procedure, we obtain the orderly patterned silver nanostructures for possible integration into miniaturized devices.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: 2Citation - Scopus: 2In-Situ Thin Film Copper-Copper Thermocompression Bonding for Quantum Cascade Lasers(Springer, 2021) Rouhi, Sina; Özdemir, Mehtap; Ekmekçioğlu, Merve; Yiğen, Serap; Demirhan, Yasemin; Szerling, Anna; Kosiel, Kamil; Kozubal, Maciej; Kruszka, Renata; Prokaryn, Piotr; Ertuğrul, Mehmet; Reno, John L.; Aygün, Gülnur; Özyüzer, LütfiThe choice of metals, bonding conditions and interface purity are critical parameters for the performance of metal-metal bonding quality for quantum cascade lasers (QCLs). Here, we present a novel approach for the thermocompression bonding of Cu-Cu thin films on GaAs-based waveguides without having any oxide phase, contamination or impurities at the interface. We designed a hybrid system in which magnetron sputtering of Ta, thermal evaporation of Cu and Cu-Cu thermocompression bonding processes can be performed sequentially under high vacuum conditions. GaAs/Ta/Cu and Cu/Ta/GaAs structures were thermocompressionally bonded in our in-situ homebuilt bonding system by optimizing the deposition parameters and bonding conditions. The grown thin film and the obtained interfaces were characterized using x-ray diffraction (XRD), scanning electron microscopy (SEM) and energy-dispersive x-ray spectroscopy (EDX) techniques. The optimum Ta and Cu films' thicknesses were found to be about 20 nm and 500 nm, respectively. EDX analysis showed that the Ta thin film interlayer diffused into the Cu structure, providing better adhesivity and rigidity for the bonding. Additionally, no oxidation phases were detected at the interface. The best bonding quality was obtained when heated up to 430 degrees C with an applied pressure of 40 MPa during bonding process.Article Citation - WoS: 32Citation - Scopus: 33Ballistic Thermoelectric Transport Properties of Two-Dimensional Group Iii-Vi Monolayers(American Physical Society, 2021) Çınar, Mustafa Neşet; Özbal Sargın, Gözde; Sevim, Koray; Özdamar, Burak; Kurt, Gizem; Sevinçli, HaldunBallistic transport and thermoelectric properties of group III-VI compounds (XY: X = B, Al, Ga, In, Tl; Y = O, S, Se, Te, Po) are investigated based on first-principles calculations and Landauer formalism. This large family is composed of 25 compounds which stands out with their unique electronic band structures. Mexican hat shaped valence band, which exhibits quartic energy-momentum relation gives rise to a sharp peak in the density of states as well as a steplike electronic transmission spectrum near the valence band edge. The intriguing electronic band structure and transport properties motivate us to explore thermoelectric properties of group III-VI monolayers. We find that, in addition to the stepwise transmission at the band edge, flat bands, valley degeneracy, and band degeneracy are the factors that enhance thermoelectric efficiencies. For heavier compounds, better thermoelectric efficiencies are possible for both n-type and p-type carriers.