Browsing by Subject "Carbon"

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Open Access
Atomic and electronic structure of carbon strings
(IOP Publishing Ltd., 2005) Tongay, S.; Dag, S.; Durgun, Engin; Senger, R. T.; Çıracı, Salim
This paper presents an extensive study of various string and tubular structures formed by carbon atomic chains. Our study is based on first-principles pseudopotential plane wave and finite-temperature ab initio molecular dynamics calculations. Infinite- and finite-length carbon chains exhibit unusual mechanical and electronic properties such as large cohesive energy, axial strength, high conductance, and overall structural stability even at high temperatures. They are suitable for structural and chemical functionalizations. Owing to their flexibility and reactivity they can form linear chain, ring, helix, two-dimensional rectangular and honeycomb grids, three-dimensional cubic networks, and tubular structures. Metal-semiconductor heterostructures and various quantum structures, such as multiple quantum wells and double-barrier resonant tunnelling structures, can be formed from the junctions of metallic carbon and semiconducting BN linear chains. Analysis of atomic and electronic structures of these periodic, finite, and doped structures reveals fundamentally and technologically interesting features, such as structural instabilities and chiral currents. The double covalent bonding of carbon atoms depicted through self-consistent charge density analysis underlies the chemical, mechanical, and electronic properties.
Open Access
A comparative study of O2 adsorbed carbon nanotubes
(2003) Dag, S.; Gülseren, O.; Çıracı, Salim
First-principles, density functional calculations show that O2 adsorbed single-wall carbon nanotubes (SWNT) show dramatic differences depending on the type of the tube. Upon O2 physisorption, the zig-zag SWNT remains semiconducting, while the metallicity of the armchair is lifted for the spin-down bands. The spin-up bands continue to cross at the Fermi level, and make the system metallic only for one type of spin. The singlet bound state of O2 occurs at the bridge site of the (6,6) SWNT at small distance from the surface of the tube. However, for the hollow site, the molecule dissociates when it comes close to the surface. © 2003 Elsevier B.V. All rights reserved.
Open Access
Complete dissipation of 2, 4, 6-trinitrotoluene by in-vessel composting
(Royal Society of Chemistry, 2015) Gumuscu, B.; Cekmecelioglu, D.; Tekinay, T.
We demonstrate complete removal of 2,4,6-trinitrotoluene (TNT) in 15 days using an in-vessel composting system, which is amended with TNT-degrading bacteria strains. A mixture of TNT, food waste, manure, wood chips, soil and TNT-degrading bacteria consortium are co-composted for 15 days in an aerobic environment. Variations in the TNT degradation rates are assessed when composting reactors are operated at different carbon/nitrogen ratios (C/N), aeration rates, TNT concentrations and TNT-degrading bacteria inoculum loads. Changes in TNT concentrations are measured using high performance liquid chromatography, and C/N are determined using elemental analysis every 5 days. Temperature and moisture of the system are measured every 6 hours. Optimum TNT degradation performance is achieved by combining C/N of 20/1 and a 5 L min-1 aeration rate. Complete removal is achieved for TNT concentrations of 2, 10, and 100 g kg-1 in 15 days by the help of Citrobacter murliniae STE10, Achromobacter spanius STE11, Kluyvera cryocrescens STE12, and Enterobacter amnigenus STE13 bacteria strains. The final products of composting are used to cultivate four different plant seedlings for 10 weeks and showed no toxic effect, which is promising for the potential agricultural use of TNT-contaminated lands after remediation. © The Royal Society of Chemistry.
Open Access
Conversion of wooden structures into porous SiC with shape memory synthesis
(2011) Dhiman, R.; Petrunin V.; Rana, K.; Morgen P.
Synthesis of structured silicon carbide materials can be accomplished using wooden materials as the carbon source, with various silicon impregnation techniques. We have explored the low cost synthesis of SiC by impregnation of carbon from wood with SiO gas at high temperatures, which largely retains the structure of the starting wood (shape memory synthesis). Suitably structured, porous SiC could prove to be an important type of catalyst support material. Shape memory synthesis (SMS) has earlier been tried on high surface area carbon materials. Here we have made an extensive study of SMS on carbon structures obtained from different types of wood. © 2011 Elsevier Ltd and Techna Group S.r.l.
Open Access
DFT studies of CNT-functionalized uracil-acetate hybrids
(Elsevier, 2015) Mirzaei, M.; Gulseren, O.
Calculations based on density functional theory (DFT) have been performed to investigate the stabilities and properties of hybrid structures consisting of a molecular carbon nanotube (CNT) and uracil acetate (UA) counterparts. The investigated models have been relaxed to minimum energy structures and then various physical properties and nuclear magnetic resonance (NMR) properties have been evaluated. The results indicated the effects of functionalized CNT on the properties of hybrids through comparing the results of hybrids and individual structures. The oxygen atoms of uracil counterparts have been seen as the detection points of properties for the CNT-UA hybrids.
Open Access
Electrospinning of gelatin with tunable fiber morphology from round to flat/ribbon
(Elsevier, 2017) Topuz, F.; Uyar, T.
The electrospinning of gelatin with tunable fiber morphology from round to flat/ribbon was shown, and the detailed studies were conducted to correlate the fiber morphology with electrospinning process parameters and gelatin concentration in electrospinning solution. Particularly, variations in the applied voltage and the concentration of gelatin led to the transition of fiber shape from round to flat/ribbon. The formation of flat-shaped fibers was attributed to rapid evaporation of the solvent (formic acid) from the fiber matrix with increasing the applied voltage and gelatin concentration. On the other hand, round fibers were due to the steady evaporation of formic acid throughout the cross-section of fibers. WAXS analysis revealed that the loss of triple-helical crystalline structure in gelatin after the electrospinning process. The gelatin fibers were cross-linked through treatment with toluene 2,4-diisocyanate (TDI) in a mixed solution of acetone and pyridine, and XPS confirmed the cross-linking of the fibers over an increased carbon content on the elemental composition of the fiber surface due to the incorporated TDI moieties. Overall, this study focuses on morphological tuning of gelatin electrospun fibers towards a flat/ribbon-like structure by variation of electrospinning parameters and polymer concentration, and thus, the proposed concept can be adapted towards flattened/ribbon-like fibers of other protein-based systems by electrospinning.
Open Access
Electrostatics of Polymer Translocation Events in Electrolyte Solutions
(American Institute of Physics Inc., 2016) Buyukdagli, S.; Ala-Nissila, T.
We develop an analytical theory that accounts for the image and surface charge interactions between a charged dielectric membrane and a DNA molecule translocating through the membrane. Translocation events through neutral carbon-based membranes are driven by a competition between the repulsive DNA-image-charge interactions and the attractive coupling between the DNA segments on the trans and the cis sides of the membrane. The latter effect is induced by the reduction of the coupling by the dielectric membrane. In strong salt solutions where the repulsive image-charge effects dominate the attractive trans-cis coupling, the DNA molecule encounters a translocation barrier of ∼10 kBT. In dilute electrolytes, the trans-cis coupling takes over image-charge forces and the membrane becomes a metastable attraction point that can trap translocating polymers over long time intervals. This mechanism can be used in translocation experiments in order to control DNA motion by tuning the salt concentration of the solution.
Open Access
Formation of quantum structures on a single nanotube by modulating hydrogen adsorption
(American Physical Society, 2003) Gülseren, O.; Yildirim, T.; Çıracı, Salim
Using first-principles density functional calculations we showed that quantum structures can be generated on a single carbon nanotube by modulating the adsorption of hydrogen atoms. The band gap of the hydrogen-free zone of the tube widens in the adjacent hydrogen covered zone. The sudden variation of the band gap leads to band offsets at the conduction- and valence-band edges. At the end, the band gap of the whole system is modulated along the axis of the tube, which generates quantum wells or quantum dots. Specific electronic states are confined in these quantum wells. The type and radius of the nanotube and the extent and sequence of hydrogen-free and hydrogen-covered zones can provide several options to design a desired optoelectronic nanodevice.
Open Access
Graphene mode-locked multipass-cavity femtosecond Cr4+:forsterite laser
(Optical Society of America, 2013-04-19) Ozharar, S.; Baylam, I.; Cizmeciyan, M. N.; Balci, O.; Pince, E.; Kocabas, C.; Sennaroglu, A.
We report, for the first time to our knowledge, the use of graphene as a saturable absorber in an energy-scaled femtosecond Cr4+: forsterite laser. By incorporating a multipass cavity, the repetition rate of the original short resonator was reduced to 4.51 MHz, which resulted in the generation of 100 fs, nearly transform-limited pulses at 1252 nm with a peak power of 53 kW. To the best of our knowledge, this is the highest peak power obtained from a room-temperature, femtosecond Cr4+: forsterite laser mode locked with a graphene saturable absorber. The corresponding pulse energy was 5.3 nJ with only 24 mW of average output power. The saturation fluence and modulation depth of the GSA were measured to be 25 mu J/cm(2) and 0.74%, respectively. The nonlinear effects in the Cr4+: forsterite medium that limit further power scaling were also investigated by using different output couplers. (c) 2013 Optical Society of America
Open Access
Growth mechanism of 2D Mo2C on Cu via CVD
(American Chemical Society, 2023-7-7) Büke, G. C.; Caylan, Ömer Refet; Oğurtanı, Ö. T.
This study investigates the growth of Mo2C crystals via chemical vapor deposition (CVD) in the presence of a carbon (H2/CH4 gas)-containing environment. The study employs both theoretical and experimental approaches to investigate the vertical and lateral (in-plane) growth of Mo2C crystals. A physico-mathematical consideration is applied to develop an analytical forward model, which incorporates bulk diffusivities, surface diffusivities, and solubility gradients for Mo2C crystal growth. Coupled nonlinear flow equations have been advanced for the Mo-, Cu-, Mo2C layer framework and effectively predicted the Mo2C crystal growth rate for both vertical and lateral directions. Forming the Mo2C crystal height and diameter was directly correlated with copper layer thickness and time using the forward model and then validated by the experiments together with SEM and AFM studies. Studies showed that the Cu layer thickness plays a crucial role in controlling the height of the Mo2C crystal while it is not that critical in changing the lateral dimension of the crystal. Beyond simply enhancing Mo2C crystal growth and property-processing relationship, this study demonstrated the synthesis of designer Mo2C, which can be tailored to the needs of specific applications. This forward model will enable us to further enhance and exploit the family of analogs of materials previously demonstrated by other methods.
Open Access
High-conducting magnetic nanowires obtained from uniform titanium-covered carbon nanotubes
(American Physical Society, 2004) Daǧ, Sefa; Durgun, Engin; Çıracı, Salim
We have shown that a semiconducting single-wall carbon nanotube (SWNT) can be covered uniformly by titanium atoms and form a complex but regular atomic structure. The circular cross section changes to a squarelike form, and the system becomes metallic with high state density at the Fermi level and with high quantum ballistic conductance. Metallicity is induced not only by the metal-metal coupling, but also by the band-gap closing of SWNT's at the corners of the square. Even more interesting is that uniform titanium-covered tubes have magnetic ground state with significant net magnetic moment. Our results have been obtained by the first-principles pseudopotential plane-wave calculations within the density-functional theory.
Open Access
Low-temperature self-limiting atomic layer deposition of wurtzite InN on Si(100)
(American Institute of Physics Inc., 2016) Haider, A.; Kizir, S.; Bıyıklı, Necmi
In this work, we report on self-limiting growth of InN thin films at substrate temperatures as low as 200 °C by hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD). The precursors used in growth experiments were trimethylindium (TMI) and N2 plasma. Process parameters including TMI pulse time, N2 plasma exposure time, purge time, and deposition temperature have been optimized for self-limiting growth of InN with in ALD window. With the increase in exposure time of N2 plasma from 40 s to 100 s at 200 °C, growth rate showed a significant decrease from 1.60 to 0.64 Å/cycle. At 200 °C, growth rate saturated as 0.64 Å/cycle for TMI dose starting from 0.07 s. Structural, optical, and morphological characterization of InN were carried out in detail. X-ray diffraction measurements revealed the hexagonal wurtzite crystalline structure of the grown InN films. Refractive index of the InN film deposited at 200 °C was found to be 2.66 at 650 nm. 48 nm-thick InN films exhibited relatively smooth surfaces with Rms surface roughness values of 0.98 nm, while the film density was extracted as 6.30 g/cm3. X-ray photoelectron spectroscopy (XPS) measurements depicted the peaks of indium, nitrogen, carbon, and oxygen on the film surface and quantitative information revealed that films are nearly stoichiometric with rather low impurity content. In3d and N1s high-resolution scans confirmed the presence of InN with peaks located at 443.5 and 396.8 eV, respectively. Transmission electron microscopy (TEM) and selected area electron diffraction (SAED) further confirmed the polycrystalline structure of InN thin films and elemental mapping revealed uniform distribution of indium and nitrogen along the scanned area of the InN film. Spectral absorption measurements exhibited an optical band edge around 1.9 eV. Our findings demonstrate that HCPA-ALD might be a promising technique to grow crystalline wurtzite InN thin films at low substrate temperatures.
Open Access
Metal nanoring and tube formation on carbon nanotubes
(American Physical Society, 2002) Bagci, V. M. K.; Gülseren, O.; Yildirim, T.; Gedik, Z.; Ciracil, S.
The structural and electronic properties of aluminum-covered single-wall carbon nanotubes (SWNT's) are studied from first principles for a large number of coverages. Aluminum-aluminum interaction, that is stronger than aluminum-tube interaction, prevents uniform metal coverage, and hence gives rise to the clustering. However, a stable aluminum ring and aluminum nanotube with well defined patterns can also form around the semiconducting SWNT's and lead to metallization. The persistent current in the Al nanoring is discussed to show that a high magnetic field can be induced at the center of SWNT.
Open Access
Oxygenation of carbon nanotubes: Atomic structure, energetics, and electronic structure
(American Physical Society, 2003) Dag, S.; Gülseren, O.; Yildirim, T.; Çıracı, Salim
This paper presents an extensive and systematic analysis of the oxygenation of semiconducting and metallic single-wall carbon nanotubes by using the first principles pseudopotential plane wave method. Our study involves the physisorption of oxygen molecules, chemisorption of oxygen atoms and formation of an oxide, and deals with the equilibrium binding geometry and corresponding electronic energy structure. The binding energies of an oxygen molecule physisorbed at different sites are determined by calculating short and long range interactions. The triplet state of the physisorbed oxygen molecule is energetically favorable, whereas the nonmagnetic (spin paired) state yields a relatively stronger binding energy. An oxygen atom is adsorbed on top of the carbon-carbon bond. The zigzag bonds of the nanotubes are weakened and eventually are replaced by a carbon-oxygen-carbon bridge bond. Chemisorption of atomic oxygen and physisorption of an oxygen molecule modify the electronic energy structure of the bare tube in different ways. For a different coverage and pattern, self-consistent field electronic energy structure calculations using the optimized physisorption geometry corresponding to the triplet ground state result in a small energy gap between unoccupied oxygen levels and the top of the valence band of the semiconducting carbon nanotube. These results invalidate the hole doping of the semiconducting carbon nanotube upon the physisorption of oxygen.
Open Access
Pressure-induced interlinking of carbon nanotubes
(American Physical Society, 2000) Yildirim, T.; Gülseren, O.; Kiliç, Ç.; Çıracı, Salim
We predict new forms of carbon consisting of one- and two-dimensional networks of interlinked single-wall carbon nanotubes, some of which are energetically more stable than van der Waals packing of the nanotubes on a hexagonal lattice. These interlinked nanotubes are further transformed with higher applied external pressures to more dense and complicated stable structures, in which curvature-induced carbon sp3 rehybridizations are formed. We also discuss the energetics of the bond formation between nanotubes and the electronic properties of these predicted novel structures.
Open Access
Production and structural characterization of biosurfactant produced by newly isolated staphylococcus xylosus STF1 from petroleum contaminated soil
(Elsevier BV, 2015) Keskin, N. O. S.; Han, D.; Ozkan A.D.; Angun, P.; Umu, O. C. O.; Tekinay, T.
Petroleum-contaminated soil was used to isolate and characterize biosurfactant producing bacteria. The strain could produce higher amount of biosurfactant in medium supplemented with motor oil as sole source of carbon and energy. A new biosurfactant producing bacterium, designated as Staphylococcus xylosus STF1 based on morphological, physiological, biochemical tests and 16S rRNA gene sequencing. The isolated bacterium was first screened for the ability to produce biosurfactant. Partial sequence of STF1 strain of 16S rDNA gene was highly similar to those of various members of the family Staphylococcaceae. Biochemical characterizations including FT-IR, Raman spectroscopy and Mass spectroscopy studies suggested the biosurfactant to be lipopeptide. Study also confirmed that the cell free supernatant exhibited high emulsifying activity against the different hydrocarbons. Moreover, the partially purified biosurfactant exhibited antimicrobial activity by inhibiting the growth of several bacterial species. The strain could be a potential candidate for the production of polypeptide biosurfactant which could be useful in a variety of biotechnological and industrial processes, particularly in the food and oil industry. © 2015 Elsevier B.V.
Open Access
Step-edge-induced resistance anisotropy in quasi-free-standing bilayer chemical vapor deposition graphene on SiC
(AIP Publishing, 2014) Ciuk, T.; Cakmakyapan, S.; Özbay, Ekmel; Caban, P.; Grodecki, K.; Krajewska, A.; Pasternak, I.; Szmidt, J.; Strupinski, W.
The transport properties of quasi-free-standing (QFS) bilayer graphene on SiC depend on a range of scattering mechanisms. Most of them are isotropic in nature. However, the SiC substrate morphology marked by a distinctive pattern of the terraces gives rise to an anisotropy in graphene's sheet resistance, which may be considered an additional scattering mechanism. At a technological level, the growth-preceding in situ etching of the SiC surface promotes step bunching which results in macro steps similar to 10 nm in height. In this report, we study the qualitative and quantitative effects of SiC steps edges on the resistance of epitaxial graphene grown by chemical vapor deposition. We experimentally determine the value of step edge resistivity in hydrogen-intercalated QFS-bilayer graphene to be similar to 190 Omega mu m for step height h(S) = 10 nm and provide proof that it cannot originate from mechanical deformation of graphene but is likely to arise from lowered carrier concentration in the step area. Our results are confronted with the previously reported values of the step edge resistivity in monolayer graphene over SiC atomic steps. In our analysis, we focus on large-scale, statistical properties to foster the scalable technology of industrial graphene for electronics and sensor applications. (C) 2014 AIP Publishing LLC.
Open Access
Sterilization of PMMA microfluidic chips by various techniques and investigation of material characteristics
(Elsevier, 2016) Yavuz, C.; Oliaei, S. N. B.; Cetin, B.; Yesil-Celiktas, O.
The sterilization of microfluidic chips is a vital step of the fabrication process prior to the customer use in biomedical applications. The aim of this study was to analyze the influence of different sterilization techniques and to compare the characteristics of the material before and after sterilization of polymethylmethacrylate (PMMA) microchips. For this, supercritical carbon dioxide (SC-CO2) along with standard sterilization methods such as ultraviolet (UV), heat (autoclaving), ethylene oxide (EtO) and hydrogen peroxide (H2O2) were applied. The treated microchips were analyzed by Scanning Electron Microscopy, Differential Scanning Calorimetry, Fourier Transform Infrared Spectroscopy and Laser Scanning Microscopy in order to ascertain any changes in the chemical structure and surface morphology. The optimum sterilization parameters for SC-CO2 were elicited as 120 bar, 40°C and 60 min which provided complete sterility and did not alter the main properties of the polymer along with EtO and H2O2 sterilizations unlike heat and UV treatments. However, surface roughness and microchannel profiles were negatively affected. Although complete sterility was achieved, each protocol has its own strengths and weaknesses. © 2015 Elsevier B.V. All rights reserved.
Open Access
Structural, optical, electrical and electrocatalytic activity properties of luminescent organic carbon quantum dots
(Wiley-Blackwell, 2018) Karatutlu, Ali; Patil, Bhushan; Şeker, İ.; İstengir, S.; Bolat, A.; Yıldırım, O.; Sevgen, Y. N.; Bakış, Y.; Ortaç, Bülend; Yılmaz, Eda; Sapelkin, A.
Carbon is an essential element in human life and recently becoming technologically prominent due to the emerging field of “Carbononics”. We demonstrate organic carbon quantum dots (qdots) containing nitrile bonded (C≡N bond) d-glucose-like traces in various sizes obtained from wheat flour to be promising for imaging applications and to possess a relaxor ferroelectric property and an enhanced electrocatalytic activity that could reduce the cost of energy devices and simple to scale up for the commercialization. The secondary electron microscopy (SEM) imaging shows that the particle size of carbon qdots can be controlled via the sonication exposure time. Elemental analysis and vibrational spectroscopy results show that carbon qdots are sensitive to N2 gas in the atmosphere and could weaken its “carbogenic” property by making a stable C≡N bond at ambient atmosphere. Rietveld analysis and HR-TEM studies demonstrate that the structure of the C qdots was found to fit best with an acentric primitive orthorhombic lattice. The laser scanning confocal microscopy (LSCM) images show enhancement of the light emission when reducing the size and characteristic excitation wavelength-dependent light emission of C qdots. The photoluminescence and UV-Vis absorption spectroscopy techniques show surface dominant emission and absorption upon the nitrile bonding.
Open Access
Studies directed toward the synthesis of aspidophytine: construction of its perhydroquinoline core
(American Chemical Society, 2016) Türkmen, Y. E.; Gravel, M.; Rawal, V. H.
We have developed an efficient route for the synthesis of the perhydroquinoline core of the indole alkaloid aspidophytine (2), starting from commercially available and inexpensive 3-acetylpyridine. This densely functionalized perhydroquinoline core displays four contiguous stereocenters including an all-carbon quaternary center. The synthetic sequence features a highly effective Diels-Alder reaction using a carbamate-substituted siloxy diene accompanied by a spontaneous intramolecular substitution of the newly formed 3°-alkyl bromide with a carbamate group. The installation of the electron-rich aniline moiety was accomplished via a TBSOTf-mediated intramolecular aza-Michael reaction, and the relative stereochemistry of the aza-Michael product (30) was confirmed by X-ray crystallographic analysis. Among the useful transformations that were developed through this study is a highly enantioselective Diels-Alder reaction of a versatile cyclic carbamate siloxy diene.