Search results for: graphene quantum dots

Authors: Defne Akay, Bekir S. Kandemir

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In this paper, we investigate the low-lying energy levels of the two-dimensional parabolic graphene quantum dots (GQDs) in the presence of topological defects with long range Coulomb impurity and subjected to an external uniform magnetic field. The low-lying energy levels of the system are obtained within the framework of the perturbation theory. We theoretically demonstrate that a valley splitting can be controlled by geometrical parameters of the graphene quantum dots and/or by tuning a uniform magnetic field, as well as topological defects. It is found that, for parabolic graphene dots, the valley splitting occurs due to the introduction of spatial confinement. The corresponding splitting is enhanced by the introduction of a uniform magnetic field and it increases by increasing the angle of the cone in subcritical regime.

Keywords: Coulomb impurity, graphene cones, graphene quantum dots, topological defects.

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Authors: Chi Man Luk, Ming Kiu Tsang, Chi Fan Chan, Shu Ping Lau

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Nitrogen-doped graphene quantum dots (N-GQDs) were fabricated by microwave-assisted hydrothermal technique. The optical properties of the N-GQDs were studied. The luminescence of the N-GQDs can be tuned by varying the excitation wavelength. Furthermore, two-photon luminescence of the N-GQDs excited by near-infrared laser can be obtained. It is shown that N-doping play a key role on two-photon luminescence. The N-GQDs are expected to find application in biological applications including bioimaging and sensing.

Keywords: Graphene quantum dots, nitrogen doping, photoluminescence, two-photon fluorescence.

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Authors: S. M. Giripunje, Shikha Jindal

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Zinc sulphide (ZnS) quantum dots (QDs) were synthesized successfully via simple sonochemical method. X-ray diffraction (XRD), scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) analysis revealed the average size of QDs of the order of 3.7 nm. The band gap of the QDs was tuned to 5.2 eV by optimizing the synthesis parameters. UV-Vis absorption spectra of ZnS QD confirm the quantum confinement effect. Fourier transform infrared (FTIR) analysis confirmed the formation of single phase ZnS QDs. To fabricate the diode, blend of ZnS QDs and P3HT was prepared and the heterojunction of PEDOT:PSS and the blend was formed by spin coating on indium tin oxide (ITO) coated glass substrate. The diode behaviour of the heterojunction was analysed, wherein the ideality factor was found to be 2.53 with turn on voltage 0.75 V and the barrier height was found to be 1.429 eV. ZnS-Graphene QDs nanocomposite was characterised for the surface morphological study. It was found that the synthesized ZnS QDs appear as quasi spherical particles on the graphene sheets. The average particle size of ZnS-graphene nanocomposite QDs was found to be 8.4 nm. From voltage-current characteristics of ZnS-graphene nanocomposites, it is observed that the conductivity of the composite increases by 10⁴ times the conductivity of ZnS QDs. Thus the addition of graphene QDs in ZnS QDs enhances the mobility of the charge carriers in the composite material. Thus, the graphene QDs, with high specific area for a large interface, high mobility and tunable band gap, show a great potential as an electron-acceptors in photovoltaic devices.

Keywords: Graphene, mobility, nanocomposites, photovoltaics, quantum dots, zinc sulphide.

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Authors: Zhengyu Yan, Yan Yu, Jianqiu Chen

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A novel sensing system has been designed for naphthalene detection based on the quenched fluorescence signal of CdS quantum dots. The fluorescence intensity of the system reduced significantly after adding CdS quantum dots to the water pollution model because of the fluorescent static quenching f mechanism. Herein, we have demonstrated the facile methodology can offer a convenient and low analysis cost with the recovery rate as 97.43%-103.2%, which has potential application prospect.

Keywords: CdS quantum dots, modification, detection, naphthalene.

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Authors: N. H. Ismail, A. A. A. Nassar, K. H. Baz

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Semiconductor crystals smaller than about 10 nm, known as quantum dots, have properties that differ from large samples, including a band gap that becomes larger for smaller particles. These properties create several applications for quantum dots. In this paper new shapes of quantum dot arrays are used to enhance the photo physical properties of gold nano-particles. This paper presents a study of the effect of nano-particles shape, array, and size on their absorption characteristics.

Keywords: Quantum Dots, Nano-Particles, LSPR.

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Authors: Alexey V. Klyuev, Arkady. V. Yakimov

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The 1/f noise investigation in nanoscale light-emitting diodes and lasers, based on GaAs and alloys, is presented here. Leakage and additional (to recombination through quantum wells and/or dots) nonlinear currents were detected and it was shown that these currents are the main source of the 1/f noise in devices studied.

Keywords: Lasers, light-emitting diodes, quantum dots, quantum wells, 1/f noise.

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Authors: H. Paredes Gutiérrez, S. T. Pérez-Merchancano

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Motivated by recent experimental and theoretical developments, we investigate the influence of embedded quantum dot (EQD) of different geometries (lens, ring and pyramidal) in a double barrier heterostructure (DBH). We work with a general theory of quantum transport that accounts the tight-binding model for the spin dependent resonant tunneling in a semiconductor nanostructure, and Rashba spin orbital to study the spin orbit coupling. In this context, we use the second quantization theory for Rashba effect and the standard Green functions method. We calculate the current density as a function of the voltage without and in the presence of quantum dots. In the second case, we considered the size and shape of the quantum dot, and in the two cases, we worked considering the spin polarization affected by external electric fields. We found that the EQD generates significant changes in current when we consider different morphologies of EQD, as those described above. The first thing shown is that the current decreases significantly, such as the geometry of EQD is changed, prevailing the geometrical confinement. Likewise, we see that the current density decreases when the voltage is increased, showing that the quantum system studied here is more efficient when the morphology of the quantum dot changes.

Keywords: Quantum semiconductors, nanostructures, quantum dots, spin polarization.

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Authors: Sh. Sousani, Z. Shadrokh, M. Hofbauerová, J. Kollár, M. Jergel, V. Nádaždy, M. Omastová, E. Majková

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In this paper, we discuss the preparation and impact of post-treatment procedures, including purification, passivation, and ligand exchange, on the formation and stability of halide perovskite quantum dots (PQDs). CsPbBr3 quantum dots were synthesized via the conventional hot-injection method using cesium oleate, PbBr2, and oleylamine (OAm) & oleic acid (OA) and didodecyldimethylammonium bromide (DDAB) as ligands. Characterization by scanning transmission electron microscopy (STEM) confirms the QDs' cubic shape and monodispersity with an average size of 10-14 nm. The photoluminescent (PL) properties of perovskite quantum dots/CH3NH3PbI3 perovskite (PQDs/MAPI)  bilayers with OAm&OA and DDAB ligands spin coated on Indium Tin Oxide (ITO) substrate were explored. The impact of ligand type and oxygen plasma treatment on linear optical behaviour and PQDs/MAPI interface formation in ITO/PQDs/MAPI perovskite structures was examined. The obtained results have direct implications for selection of suitable ligands and processes for photovoltaic applications and enhancing their stability.

Keywords: Perovskite quantum dots, ligand exchange, photoluminescence, O3 plasma.

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Authors: David Prochazka, Ľudmila Ballová, Karel Novotný, Jan Novotný, Radomír Malina, Petr Babula, Vojtěch Adam, René Kizek, Klára Procházková, Jozef Kaiser

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Here we report on the utilization of Laser-Induced Breakdown Spectroscopy (LIBS) for determination of Quantum Dots (QDs) in liquid solution. The process of optimization of experimental conditions from choosing the carrier medium to application of colloid QDs is described. The main goal was to get the best possible signal to noise ratio. The results obtained from the measurements confirmed the capability of LIBS technique for qualitative and afterwards quantitative determination of QDs in liquid solution.

Keywords: Laser-Induced Breakdown Spectroscopy, liquid analysis, nanocrystals, nanotechnology, Quantum dots.

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Authors: Mikhail Vladimirovich Deryabin, Morten Willatzen

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In this work, we address theoretically the influence of red and white Gaussian noise for electronic energies and eigenstates of cylindrically shaped quantum dots. The stochastic effect can be imagined as resulting from crystal-growth statistical fluctuations in the quantum-dot material composition. In particular we obtain analytical expressions for the eigenvalue shifts and electronic envelope functions in the k . p formalism due to stochastic variations in the confining band-edge potential. It is shown that white noise in the band-edge potential leaves electronic properties almost unaffected while red noise may lead to changes in state energies and envelopefunction amplitudes of several percentages. In the latter case, the ensemble-averaged envelope function decays as a function of distance. It is also shown that, in a stochastic system, constant ensembleaveraged envelope functions are the only bounded solutions for the infinite quantum-wire problem and the energy spectrum is completely discrete. In other words, the infinite stochastic quantum wire behaves, ensemble-averaged, as an atom.

Keywords: cylindrical quantum dots, electronic eigen energies, red and white Gaussian noise, ensemble averaging effects.

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Authors: Kostandinos Katsamangas, B. Ramachandra Bhat, Fawad Inam

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Graphene was dispersed using a tip sonicator and the effect of surfactants were analysed. Sodium Dodecyl Sulphate (SDS) and Polyvinyl Alcohol (PVA) were compared to observe whether or not they had any effect on any de-wrinkling, and secondly whether they aided to achieve better dispersions. There is a huge demand for wrinkle free graphene as this will greatly increase its usefulness in various engineering applications. A comprehensive literature on dewrinkling graphene has been discussed. Low magnification Scanning Electronic Microscopy (SEM) was conducted to assess the quality of graphene de-wrinkling. The utilization of the PVA has significant effect on de-wrinkling whereas SDS had minimal effect on the dewrinkling of graphene.

Keywords: De-wrinkling, dispersion, graphene, scanning electron microscopy.

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Authors: S. Mosadegh Sedghi, Y. Mortazavi, A. Khodadadi, O. Alizadeh Sahraei, M. Vesali Naseh

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In this study, a low temperature sensor highly selective to CO in presence of methane is fabricated by using 4 nm SnO2 quantum dots (QDs) prepared by sonication assisted precipitation. SnCl4 aqueous solution was precipitated by ammonia under sonication, which continued for 2 h. A part of the sample was then dried and calcined at 400°C for 1.5 h and characterized by XRD and BET. The average particle size and the specific surface area of the SnO2 QDs as well as their sensing properties were compared with the SnO2 nano-particles which were prepared by conventional sol-gel method. The BET surface area of sonochemically as-prepared product and the one calcined at 400°C after 1.5 hr are 257 m2/gr and 212 m2/gr respectively while the specific surface area for SnO2 nanoparticles prepared by conventional sol-gel method is about 80m2/gr. XRD spectra revealed pure crystalline phase of SnO2 is formed for both as-prepared and calcined samples of SnO2 QDs. However, for the sample prepared by sol-gel method and calcined at 400°C SnO crystals are detected along with those of SnO2. Quantum dots of SnO2 show exceedingly high sensitivity to CO with different concentrations of 100, 300 and 1000 ppm in whole range of temperature (25- 350°C). At 50°C a sensitivity of 27 was obtained for 1000 ppm CO, which increases to a maximum of 147 when the temperature rises to 225°C and then drops off while the maximum sensitivity for the SnO2 sample prepared by the sol-gel method was obtained at 300°C with the amount of 47.2. At the same time no sensitivity to methane is observed in whole range of temperatures for SnO2 QDs. The response and recovery times of the sensor sharply decreases with temperature, while the high selectivity to CO does not deteriorate.

Keywords: Sonochemical, SnO2 QDs, SnO2 gas sensor

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Authors: Vishal V. R. Nandigana, Mohammad Heiranian, Narayana R. Aluru

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Graphene material has found tremendous applications in water desalination, DNA sequencing and energy storage. Multiple nanopores are etched to create opening for water desalination and energy storage applications. The nanopores created are of the order of 3-5 nm allowing multiple ions to transport through the pore. In this paper, we present for the first time, molecular dynamics study of single ion transport, where only one ion passes through the graphene nanopore. The diameter of the graphene nanopore is of the same order as the hydration layers formed around each ion. Analogous to single electron transport resulting from ionic transport is observed for the first time. The current-voltage characteristics of such a device are similar to single electron transport in quantum dots. The current is blocked until a critical voltage, as the ions are trapped inside a hydration shell. The trapped ions have a high energy barrier compared to the applied input electrical voltage, preventing the ion to break free from the hydration shell. This region is called “Coulomb blockade region”. In this region, we observe zero transport of ions inside the nanopore. However, when the electrical voltage is beyond the critical voltage, the ion has sufficient energy to break free from the energy barrier created by the hydration shell to enter into the pore. Thus, the input voltage can control the transport of the ion inside the nanopore. The device therefore acts as a binary storage unit, storing 0 when no ion passes through the pore and storing 1 when a single ion passes through the pore. We therefore postulate that the device can be used for fluidic computing applications in chemistry and biology, mimicking a computer. Furthermore, the trapped ion stores a finite charge in the Coulomb blockade region; hence the device also acts a super capacitor.

Keywords: Graphene, single ion transport, Coulomb blockade, fluidic computer, super capacitor.

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Authors: Mehran Bakhshi, Mohammad Raouf Hosseini, Mohammadhosein Rahimi

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The cadmium sulfide nanoparticles were synthesized from the nickel-cadmium cake of a hydrometallurgical zinc producing plant and sodium sulfide as Cd²⁺ and S^-2 sources, respectively. Also, the synthesis process was performed by using the secretions of Bacillus licheniformis as bio-surfactant. Initially, in order to obtain a cadmium rich solution, two following steps were carried out: 1) Alkaline leaching for the removal of zinc oxide from the cake, and 2) acidic leaching to dissolve cadmium from the remained solid residue. Afterward, the obtained CdSO₄ solution was used for the nanoparticle biosynthesis. Nanoparticles were characterized by the energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) to confirm the formation of CdS crystals with cubic structure. Also, transmission electron microscopy (TEM) was applied to determine the particle sizes which were in 2-10 nm range. Moreover, the presence of the protein containing bio-surfactants was approved by using infrared analysis (FTIR). In addition, the absorbance below 400 nm confirms quantum particles’ size. Finally, it was shown that valuable CdS quantum dots could be obtained from the industrial waste products via environment-friendly biological approaches.

Keywords: Biosynthesis, cadmium cake, cadmium sulfide, nanoparticle, zinc smelter.

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Authors: S. N. A. Azraai, K. S. Lim, N. Yahaya, N. M. Noor

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This experimental study consists of a characterization of epoxy grout where an amount of 2% of graphene nanoplatelets particles were added to commercial epoxy resin to evaluate their behavior regarding neat epoxy resin. Compressive tests, tensile tests and flexural tests were conducted to study the effect of graphene nanoplatelets on neat epoxy resin. By comparing graphene-based and neat epoxy grout, there is no significant increase of strength due to weak interface in the graphene nanoplatelets/epoxy composites. From this experiment, the tension and flexural strength of graphenebased epoxy grouts is slightly lower than ones of neat epoxy grout. Nevertheless, the addition of graphene has produced more consistent results according to a smaller standard deviation of strength. Furthermore, the graphene has also improved the ductility of the grout, hence reducing its brittle behaviour. This shows that the performance of graphene-based grout is reliably predictable and able to minimise sudden rupture. This is important since repair design of damaged pipeline is of deterministic nature.

Keywords: Composite, epoxy resin, graphene nanoplatelets.

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Authors: Nikhil Jain, Yang Xu, Bin Yu

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The material behavior of graphene, a single layer of carbon lattice, is extremely sensitive to its dielectric environment. We demonstrate improvement in electronic performance of graphene nanowire interconnects with full encapsulation by lattice-matching, chemically inert, 2D layered insulator hexagonal boron nitride (h- BN). A novel layer-based transfer technique is developed to construct the h-BN/MLG/h-BN heterostructures. The encapsulated graphene wires are characterized and compared with that on SiO2 or h-BN substrate without passivating h-BN layer. Significant improvements in maximum current-carrying density, breakdown threshold, and power density in encapsulated graphene wires are observed. These critical improvements are achieved without compromising the carrier transport characteristics in graphene. Furthermore, graphene wires exhibit electrical behavior less insensitive to ambient conditions, as compared with the non-passivated ones. Overall, h-BN/graphene/h- BN heterostructure presents a robust material platform towards the implementation of high-speed carbon-based interconnects.

Keywords: Two-dimensional nanosheet, graphene, hexagonal boron nitride, heterostructure, interconnects.

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Authors: Jeong-Won Kang

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Graphene, a single-atom sheet, has been considered as the most promising material for making future nanoelectromechanical systems as well as purely electrical switching with graphene transistors. Graphene-based devices have advantages in scaled-up device fabrication due to the recent progress in large area graphene growth and lithographic patterning of graphene nanostructures. Here we investigated its mechanical responses of circular graphene nanoflake under the nanoindentation using classical molecular dynamics simulations. A correlation between the load and the indentation depth was constructed. The nanoindented force in this work was applied to the center point of the circular graphene nanoflake and then, the resonance frequency could be tuned by a nanoindented depth. We found the hardening or the softening of the graphene nanoflake during its nanoindented-deflections, and such properties were recognized by the shift of the resonance frequency. The calculated mechanical parameters in the force-vs-deflection plot were in good agreement with previous experimental and theoretical works. This proposed schematics can detect the pressure via the deflection change or/and the resonance frequency shift, and also have great potential for versatile applications in nanoelectromechanical systems.

Keywords: Graphene, pressure sensor, circular graphene nanoflake, molecular dynamics.

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Authors: V. Zamora, Z. Zhang, A. Meldrum

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The compatibility of optical resonators with microfluidic systems may be relevant for chemical and biological applications. Here, a fluorescent-core microcavity (FCM) is investigated as a refractometric sensor for heavy oils. A high-index film of silicon quantum dots (QDs) was formed inside the capillary, supporting cylindrical fluorescence whispering gallery modes (WGMs). A set of standard refractive index oils was injected into a capillary, causing a shift of the WGM resonances toward longer wavelengths. A maximum sensitivity of 240 nm/RIU (refractive index unit) was found for a nominal oil index of 1.74. As well, a sensitivity of 22 nm/RIU was obtained for a lower index of 1.48, more typical of fuel hydrocarbons. Furthermore, the observed spectra and sensitivities were compared to theoretical predictions and reproduced via FDTD simulations, showing in general an excellent agreement. This work demonstrates the potential use of FCMs for oil sensing applications and the more generally for detecting liquid solutions with a high refractive index or high viscosity.

Keywords: Oils, optical resonators, sensing applications, whispering gallery modes.

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Authors: Atef Y. Shenouda, Anton A. Momchilov

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Graphene and CdO with different stoichiometric ratios of Cd(CH₃COO)₂ and graphene samples were prepared by hydrothermal reaction. The crystalline phases of pure CdO and 3CdO:1graphene were identified by X-ray diffraction (XRD). The particle morphology was studied with SEM. Furthermore, impedance measurements were applied. Galvanostatic measurements for the cells were carried out using potential limits between 0.01 and 3 V vs. Li/Li⁺. The current cycling intensity was 10⁻⁴ A. The specific discharge capacity of 3CdO-1G cell was about 450 Ah.Kg⁻¹ up to more than 100 cycles.

Keywords: CdO, graphene, negative electrode, lithium battery.

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Authors: Sepehr Lajevardi Esfahani, Shohre Rouhani, Zahra Ranjbar

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Graphene has gained much attention owing to its unique optical and electrical properties. Charge carriers in graphene sheets (GS) carry out a linear dispersion relation near the Fermi energy and behave as massless Dirac fermions resulting in unusual attributes such as the quantum Hall effect and ambipolar electric field effect. It also exhibits nondispersive transport characteristics with an extremely high electron mobility (15000 cm²/(Vs)) at room temperature. Recently, several progresses have been achieved in the fabrication of single- or multilayer GS for functional device applications in the fields of optoelectronic such as field-effect transistors ultrasensitive sensors and organic photovoltaic cells. In addition to device applications, graphene also can serve as reinforcement to enhance mechanical, thermal, or electrical properties of composite materials. Electrophoretic deposition (EPD) is an attractive method for development of various coatings and films. It readily applied to any powdered solid that forms a stable suspension. The deposition parameters were controlled in various thicknesses. In this study, the graphene electrodeposition conditions were optimized. The results were obtained from SEM, Ohm resistance measuring technique and AFM characteristic tests. The minimum sheet resistance of electrodeposited reduced graphene oxide layers is achieved at conditions of 2 V in 10 s and it is annealed at 200 °C for 1 minute.

Keywords: Electrophoretic deposition, graphene oxide, electrical conductivity, electro-optical devices.

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Authors: Johanna Anteroinen, Wonjae Kim, Kari Stadius, Juha Riikonen, Harri Lipsanen, Jussi Ryynanen

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Graphene-metal contact resistance limits the performance of graphene-based electrical devices. In this work, we have fabricated both graphene field-effect transistors (GFET) and transfer length measurement (TLM) test devices with titanium contacts. The purpose of this work is to compare the contact resistances that can be numerically extracted from the GFETs and measured from the TLM structures. We also provide a brief review of the work done in the field to solve the contact resistance problem.

Keywords: Contact resistance, graphene, TLM

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Authors: Sara Felloni, Giuliano Strini

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We explore entanglement in composite quantum systems and how its peculiar properties are exploited in quantum information and communication protocols by means of Diagrams of States, a novel method to graphically represent and analyze how quantum information is elaborated during computations performed by quantum circuits. We present quantum diagrams of states for Bell states generation, measurements and projections, for dense coding and quantum teleportation, for probabilistic quantum machines designed to perform approximate quantum cloning and universal NOT and, finally, for quantum privacy amplification based on entanglement purification. Diagrams of states prove to be a useful approach to analyze quantum computations, by offering an intuitive graphic representation of the processing of quantum information. They also help in conceiving novel quantum computations, from describing the desired information processing to deriving the final implementation by quantum gate arrays.

Keywords: Diagrams of states, entanglement, quantum circuits, quantum information.

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Authors: Zainudin Kornain, Azman Jalar, Rozaidi Rasid, Fong Chee Seng

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Void formation in underfill is considered as failure in flip chip manufacturing process. Void formation possibly caused by several factors such as poor soldering and flux residue during die attach process, void entrapment due moisture contamination, dispense pattern process and setting up the curing process. This paper presents the comparison of single step and two steps curing profile towards the void and black dots formation in underfill for Hi-CTE Flip Chip Ceramic Ball Grid Array Package (FC-CBGA). Statistic analysis was conducted to analyze how different factors such as wafer lot, sawing technique, underfill fillet height and curing profile recipe were affected the formation of voids and black dots. A C-Mode Scanning Aqoustic Microscopy (C-SAM) was used to scan the total count of voids and black dots. It was shown that the 2 steps curing profile provided solution for void elimination and black dots in underfill after curing process.

Keywords: black dots formation, curing profile, FC-CBGA, underfill, void formation,

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Authors: Sajjad Seifoori

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Impact behavior of striker on graphene sheet and carbon nanotube is investigated based on molecular dynamics (MD) simulations. A MD simulation is conducted to obtain the maximum dynamic deflections of a square and rectangular single-layered graphene sheets (SLGSs) with various values of side-length and striker parameter. Effect of (i) chirality, (ii) graphene side-length and nanotube length, (iii) striker mass on the maximum dynamic deflections of graphene and nanotube are investigated. The effect of different types of boundary condition on the maximum dynamic deflections is studied for zigzag and armchair SWCNTs with various aspect ratios (Length/Diameter).

Keywords: Impact, molecular dynamic, graphene, nanotube.

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Authors: Ingy N. Bkrey, Ahmed A. Moniem

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We succeeded to produce a high performance and flexible graphene/Manganese dioxide (G/MnO₂) electrode coated on flexible polyethylene terephthalate (PET) substrate. The graphene film is initially synthesized by drop-casting the graphene oxide (GO) solution on the PET substrate, followed by simultaneous reduction and patterning of the dried film using carbon dioxide (CO₂) laser beam with power of 1.8 W. Potentiostatic Anodic Deposition method was used to deposit thin film of MnO₂ with different loading mass 10 – 50 and 100 μg.cm^-2 on the pre-prepared graphene film. The electrodes were fully characterized in terms of structure, morphology, and electrochemical performance. A maximum specific capacitance of 973 F.g^-1 was attributed when depositing 50μg.cm^-2 MnO₂ on the laser reduced graphene oxide rGO (or G/50MnO₂) and over 92% of its initial capacitance was retained after 1000 cycles. The good electrochemical performance and long-term cycling stability make our proposed approach a promising candidate in the supercapacitor applications.

Keywords: Electrode Deposition, Flexible, Graphene oxide, Graphene, High Power CO2 Laser, MnO2.

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Authors: I-Ling Chang, Jer-An Chen

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The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: Energy minimization, fracture, graphene, molecular mechanics.

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Authors: Zeinab Jokar, Mohammad Reza Moslemi

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In this work, we study the behavior of introducing atomic size vacancy in a graphene nanoribbon superlattice. Our investigations are based on the density functional theory (DFT) with the Local Density Approximation in Atomistix Toolkit (ATK). We show that, in addition to its shape, the position of vacancy has a major impact on the electrical properties of a graphene nanoribbon superlattice. We show that the band gap of an armchair graphene nanoribbon may be tuned by introducing an appropriate periodic pattern of vacancies. The band gap changes in a zig-zag manner similar to the variation of band gap of a graphene nanoribbon by changing its width.

Keywords: Antidot, Atomistix ToolKit, Superlattice, Vacancy.

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Authors: Philippe Jorrand

Abstract:

Research in quantum computation is looking for the consequences of having information encoding, processing and communication exploit the laws of quantum physics, i.e. the laws which govern the ultimate knowledge that we have, today, of the foreign world of elementary particles, as described by quantum mechanics. This paper starts with a short survey of the principles which underlie quantum computing, and of some of the major breakthroughs brought by the first ten to fifteen years of research in this domain; quantum algorithms and quantum teleportation are very biefly presented. The next sections are devoted to one among the many directions of current research in the quantum computation paradigm, namely quantum programming languages and their semantics. A few other hot topics and open problems in quantum information processing and communication are mentionned in few words in the concluding remarks, the most difficult of them being the physical implementation of a quantum computer. The interested reader will find a list of useful references at the end of the paper.

Keywords: Quantum information processing, quantum algorithms, quantum programming languages.

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Authors: A. Pruna, D. Pullini, D. Busquets

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Graphene-based materials were prepared by chemical reduction of covalently functionalized graphene oxide with environmentally friendly agents. Two varying stoichiometry of graphene oxide (GO) induced by using different chemical preparation conditions, further covalent functionalization of the GO materials with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride / N-hydroxysuccinimide and ascorbic acid and sodium bisulfite as reducing agents were exploited in order to obtain controllable properties of the final solution-based graphene materials. The obtained materials were characterized by thermo-gravimetric analysis, Fourier transform infrared and Raman spectroscopy and X-ray diffraction. The results showed successful functionalization of the GO materials, while a comparison of the deoxygenation efficiency of the two-type functionalized graphene oxide suspensions by the different reducing agents has been made, revealing the strong dependence of their properties on the GO structure and reducing agents.

Keywords: Graphene oxide, covalent functionalization, reduction, ascorbic acid, sodium bisulfate.

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Authors: A. Sakavičius, A. Lukša, V. Nargelienė, V. Bukauskas, G. Astromskas, A. Šetkus

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We investigate the influence of annealing on the properties of a contact between graphene and metal (Au and Ni), using circular transmission line model (CTLM) contact geometry. Kelvin probe force microscopy (KPFM) and Raman spectroscopy are applied for characterization of the surface and interface properties. Annealing causes a decrease of the metal-graphene contact resistance for both Ni and Au.

Keywords: Graphene, Kelvin force probe microscopy, Raman spectroscopy.

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