Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
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Article Citation - WoS: 3Citation - Scopus: 3Green Fabrication of Lanthanide-Doped Hydroxide-Based Phosphors: Y(oh)(3):eu3+ Nanoparticles for White Light Generation(Beilstein-Institut Zur Forderung der Chemischen Wissenschaften, 2019) Güner, Tuğrul; Kuş, Anılcan; Özcan, Mehmet; Genç, Aziz; Şahin, Hasan; Demir, Mustafa MuammerPhosphors can serve as color conversion layers to generate white light with varying optical features, including color rendering index (CRI), high correlated color temperature (CCT), and luminous efficacy. However, they are typically produced under harsh synthesis conditions such as high temperature, high pressure, and/or by employing a large amount of solvent. In this work, a facile, water-based, rapid method has been proposed to fabricate lanthanide-doped hydroxide-based phosphors. In this sense, sub-micrometer-sized Y(OH)(3):Eu3+ particles (as red phosphor) were synthesized in water at ambient conditions in <= 60 min reaction time. The doping ratio was controlled from 2.5-20 mol %. Additionally, first principle calculations were performed on Y(OH)(3):Eu3+ to understand the preferable doping scenario and its optoelectronic properties. As an application, these fabricated red phosphors were integrated into a PDMS/YAG:Ce3+ composite and used to generate white light. The resulting white light showed a remarkable improvement (approximate to 24%) in terms of luminous efficiency, a slight reduction of CCT (from 3900 to 3600 K), and an unchanged CRI (approximate to 60) as the amount of Y(OH)(3):Eu3+ was increased.Article Citation - WoS: 3Citation - Scopus: 4Experimental and First-Principles Investigation of Cr-Driven Color Change in Cesium Lead Halide Perovskites(American Institute of Physics, 2019) Özen, Sercan; Güner, Tuğrul; Topçu, Gökhan; Özcan, Mehmet; Demir, Mustafa Muammer; Şahin, HasanHerein, we report room temperature Cr-doping for all-inorganic perovskites that have attracted great attention in recent years due to their extraordinary optical properties, low cost, and ease of synthesis. Incorporation of Cr 3 + ions into the perovskite crystal lattices is achieved by following a facile route involving an antisolvent recrystallization method at room temperature. It is shown that both Cr-doping and formation of crystals in the CsPbBr x Cl 3 - x phase are provided by increasing the concentration of the CrCl 3 solution. It is also observed that the doping procedure leads to the emergence of three types of distinctive peaks in the PL spectrum originating from CsPbBr x Cl 3 - x domains (476-427nm), Cr-strained host lattices (515nm), and midgap states formed by Cr dopants (675-775nm). It is also found that the Cr-doped perovskites emitting a dark violaceous color change their color to white with a high color rendering index (88) in 30-day time intervals. Easy-tunable optical properties of all-inorganic Cs perovskites indicate their great potential for future optoelectronic device applications.Article Citation - WoS: 25Citation - Scopus: 27Osteogenic Differentiation of Mesenchymal Stem Cells on Random and Aligned Pan/Ppy Nanofibrous Scaffolds(SAGE Publications, 2019) Selamet, Yusuf; İnce Yardımcı, Atike; Baskan, Öznur; Yılmaz, Selahattin; Meşe, Gülistan; Özçivici, EnginThe aim of this study was to develop random and aligned polyacrilonitrile (PAN)/polypyrrole (PPy) nanofibrous scaffolds by electrospinning technique for osteogenic differentiation of mesenchymal stem cells. Nanofibers were fabricated successfully as straight, smooth, and free from bead formation. The average diameter of random and aligned nanofibers was 268(+/- 49) nm and 225(+/- 72) nm, respectively. Alignment process increased the tensile strength of nanofibers 3.9-fold, while the tensile strain of nanofibers decreased by 78%. PAN/PPy nanofibers were hydrophilic with the contact angle value of about 32 degrees and alignment did not affect the contact angle value. Random and aligned PAN/PPy nanofibers were investigated as a scaffold material for osteogenic differentiation of D1 ORL UVA mouse bone marrow mesenchymal stem cells. Cells were able to attach and grow on nanofibers confirmed by cell viability results. Stem cells that were cultured with osteogenic induction were able to mineralize on electrospun nanofibers based on alizarin red and Von Kossa dye staining. For aligned PPy nanofibers, mineralization occurred in the fiber alignment direction. Consequently, PAN/PPy nanofibrous mats in both random and aligned forms would be potential candidates for bone tissue engineering.Article Citation - WoS: 85Citation - Scopus: 91Ballistic Thermoelectric Properties of Monolayer Semiconducting Transition Metal Dichalcogenides and Oxides(American Physical Society, 2019) Özbal, Gözde; Senger, Ramazan Tuğrul; Sevik, Cem; Sevinçli, HaldunCombining first-principles calculations with Landauer-Mittiker formalism, ballistic thermoelectric transport properties of semiconducting two-dimensional transition metal dichalcogenides (TMDs) and oxides (TMOs) (namely MX2 with M = Cr, Mo, W, Ti, Zr, Hf; X = O, S, Se, Te) are investigated in their 2H and 1T phases. Having computed structural, as well as ballistic electronic and phononic transport properties for all structures, we report the thermoelectric properties of the semiconducting ones. We find that 2H phases of four of the studied structures have very promising thermoelectric properties, unlike their 1T phases. The maximum room temperature p-type thermoelectric figure of merit (ZT) of 1.57 is obtained for 2H-HfSe2, which can be as high as 3.30 at T = 800 K. Additionally, 2H-ZrSe2, 2H-ZrTe2, and 2H-HfS2 have considerable ZT values (both nand p-type), that are above 1 at room temperature. The 1T phases of Zr and Hf-based oxides possess relatively high power factors, however their high lattice thermal conductance values limit their ZT values to below 1 at room temperature.Article Citation - WoS: 6Citation - Scopus: 8Enhanced Spontaneous Emission Rate in a Low-Q Hybrid Photonic-Plasmonic Nanoresonator(American Chemical Society, 2019) Gökbulut, Belkıs; İnanç, Arda; Topçu, Gökhan; Ünlütürk, Seçil Sevim; Özçelik, Serdar; Demir, Mustafa Muammer; İnci, Mehmet NaciIn this paper, CdTe quantum dots (QDs)-doped single electrospun polymer nanofibers are partially coated with gold nanoparticles to form distinct hybrid photonic-plasmonic nanoresonators to investigate the critical role of the cavity-confined hybrid mode on the modification of the spontaneous emission dynamics of the fluorescent emitters in low-Q photonic cavities. A total enhancement factor of 11.2 is measured via a time-resolved experimental technique, which shows that there is an increase of about three times in the spontaneous emission rate for the QDs-doped gold nanoparticle-decorated nanofibers as they are compared with those uncoated ones. The physical mechanism affecting the spontaneous emission rate of the encapsulated QDs in such a hybrid photonic-plasmonic nanoresonator is explained to be due to regeneration of the mode field in the nanofiber cavity upon the interaction of the dipoles with the surface plasmons of distinctive gold nanoparticles that surround the outer surface of the nanofiber.Article Citation - WoS: 21Citation - Scopus: 22Green Function, Quasi-Classical Langevin and Kubo-Greenwood Methods in Quantum Thermal Transport(IOP Publishing, 2019) Sevinçli, Haldun; Roche, S.; Cuniberti, G.; Brandbyge, M.; Gutierrez, R.; Sandonas, L. MedranoWith the advances in fabrication of materials with feature sizes at the order of nanometers, it has been possible to alter their thermal transport properties dramatically. Miniaturization of device size increases the power density in general, hence faster electronics require better thermal transport, whereas better thermoelectric applications require the opposite. Such diverse needs bring new challenges for material design. Shrinkage of length scales has also changed the experimental and theoretical methods to study thermal transport. Unsurprisingly, novel approaches have emerged to control phonon flow. Besides, ever increasing computational power is another driving force for developing new computational methods. In this review, we discuss three methods developed for computing vibrational thermal transport properties of nano-structured systems, namely Green function, quasi-classical Langevin, and Kubo-Green methods. The Green function methods are explained using both nonequilibrium expressions and the Landauer-type formula. The partitioning scheme, decimation techniques and surface Green functions are reviewed, and a simple model for reservoir Green functions is shown. The expressions for the Kubo-Greenwood method are derived, and Lanczos tridiagonalization, continued fraction and Chebyshev polynomial expansion methods are discussed. Additionally, the quasi-classical Langevin approach, which is useful for incorporating phonon-phonon and other scatterings is summarized.Article Citation - WoS: 1Investigation of the Electrical Parameters of the Organic Diode Modified With 4-[(3 Benzoic Acid(Electrochemical Society, Inc., 2016) Havare, A. Kemal; Can, Mustafa; Yağmurcukardeş, Nesli; Yiğit, Mesude Zeliha; Aydın, Hasan; Okur, Salih; Demiç, Şerafettin; İçli, Sıddık4-[(3-Methylphenyl)(phenyl)amino]benzoic acid (MPPBA) self-assembled monolayer (SAM) molecules as hole injection is formed on p and n type Si and on indium-tin oxide (ITO) electrodes to investigate the effect on the electrical parameters of hole only organic device. The hole mobility improvement of organic device was attributed to an intermediate energy level formed between hole transport materials (HTL) (N,N'-Bis(naphthalen-1-yl)-N,N'-bis(phenyl)benzidine -NPB) and ITO when forming an ultrathin MPPBA layer, leading to increase of carrier mobility of the device. Space charge limited current (SCLC) technique is used to estimate the mobility of the NPB formed at the interface metal/organic Ohmic contact. The hole mobility of ITO/NPB/Al and ITO/MPPBA/NPB/Al devices were obtained as 1.80 x 10(-6) and 1.76 x 10(-3) cm(2)/Vs, at 1350 E (V/cm)(1/2) applied electric field, respectively. SAM modified devices has lower barrier height values. The electronic characteristic parameters of the ITO/(with or without MPPBA)/NPB/Al, Au/n-Si(or p-Si)/(with or without MPPBA)/Au contacts were calculated using current-voltage (I-V) measurements by Schottky type carrier injection. (C) The Author(s) 2016. Published by ECS.Article Citation - WoS: 89Citation - Scopus: 85Cspbbr3 Perovskites: Theoretical and Experimental Investigation on Water-Assisted Transition From Nanowire Formation To Degradation(American Physical Society, 2018) Akbalı, Barış; Topçu, Gökhan; Güner, Tuğrul; Özcan, Mehmet; Demir, Mustafa Muammer; Şahin, HasanRecent advances in colloidal synthesis methods have led to an increased research focus on halide perovskites. Due to the highly ionic crystal structure of perovskite materials, a stability issue pops up, especially against polar solvents such as water. In this study, we investigate water-driven structural evolution of CsPbBr3 by performing experiments and state-of-the-art first-principles calculations. It is seen that while an optical image shows the gradual degradation of the yellowish CsPbBr3 structure under daylight, UV illumination reveals that the degradation of crystals takes place in two steps: transition from a blue-emitting to green-emitting structure and and then a transition from a green-emitting phase to complete degradation. We found that as-synthesized CsPbBr3 nanowires (NWs) emit blue light under a 254 nm UV source. Before the degradation, first, CsPbBr3 NWs undergo a water-driven structural transition to form large bundles. It is also seen that formation of such bundles provides longer-term environmental stability. In addition theoretical calculations revealed the strength of the interaction of water molecules with ligands and surfaces of CsPbBr3 and provide an atomistic-level explanation to a transition from ligand-covered NWs to bundle formation. Further interaction of green-light-emitting bundles with water causes complete degradation of CsPbBr3 and the photoluminescence signal is entirely quenched. Moreover, Raman and x-ray-diffraction measurements revealed that completely degraded regions are decomposed to PbBr2 and CsBr precursors. We believe that the findings of this study may provide further insight into the degradation mechanism of CsPbBr3 perovskite by water.Article Citation - WoS: 14Citation - Scopus: 15Medical Waste Treatment Via Waste Electrospinning of Ps(Korean Fiber Society, 2018) Isık, Tuğba; Demir, Mustafa MuammerBody fluid medical wastes are infectious clinical wastes (blood, saliva, urine) due to their high pathogenic content. Incineration is the most commonly used method in waste management that possess high water content along with molecularly dissolved species such as proteins. The process is costly; so that the removal of solid content dissolved in aqueous part by preliminary filtration can reduce the volume of the waste material. In this study, fibrous mats were prepared by electrospinning of PS wastes from DMF and THF solutions. Then they are employed in the removal of protein-based solid contents of body fluid medical wastes before their disposal. Two sources of PS waste (CD cover and Styrofoam) were employed along with virgin PS for comparison. The adsorption capacity of as-prepared electrospun fibers was examined for three model proteins: Bovine Serum Albumin (BSA), Myoglobin (MYO), and Trypsin (TRY). The fibers obtained from PS CD wastes have remarkably larger protein sorption capacities (particularly BSA) than the fibers obtained from virgin PS. XPS reveals the presence of CaCO3 domains in CD covers added into PS during their production steps probably to increase mechanical properties. There may be an electrostatic interaction between Ca2+ and the negatively charged groups of the protein. In this way, PS wastes could be converted to a beneficial secondary product by electrospinning and also resulting materials promises for the disposal of body fluid medical wastes. This may be one of the frontiers study on the removal of medical wastes by adsorbents produced via electrospinning of waste polymers.Article Citation - WoS: 1Citation - Scopus: 1Directed Growth of Hydrogen Lines on Graphene: High-Throughput Simulations Powered by Evolutionary Algorithm(American Physical Society, 2018) Özbal, Gözde; Falkenberg, J. T.; Brandbyge, M.; Senger, Ramazan Tuğrul; Sevinçli, HaldunWe set up an evolutionary algorithm combined with density functional tight-binding calculations to investigate hydrogen adsorption on flat graphene and graphene monolayers curved over substrate steps. During the evolution, candidates for the new generations are created by adsorption of an additional hydrogen atom to the stable configurations of the previous generation, where a mutation mechanism is also incorporated. Afterwards a two-stage selection procedure is employed. Selected candidates act as the parents of the next generation. The evolutionary algorithm predicts formation of lines of hydrogen atoms on flat graphene. In curved graphene, the evolution follows a similar path except for a new mechanism, which aligns hydrogen atoms on the line of minimum curvature. The mechanism is due to the increased chemical reactivity of graphene along the minimum radius of curvature line (MRCL) and to sp(3) bond angles being commensurate with the kinked geometry of hydrogenated graphene at the substrate edge. As a result, the reaction barrier is reduced considerably along the MRCL and hydrogenation continues like a mechanical chain reaction. This growth mechanism enables lines of hydrogen atoms along the MRCL, which has the potential to overcome substrate or rippling effects and could make it possible to define edges or nanoribbons without actually cutting the material.