Search results for: charge
553 Spin-Dipole Excitations Produced On-Demand in the Fermi Sea
Authors: Mykhailo Moskalets, Pablo Burset, Benjamin Roussel, Christian Flindt
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The single-particle injection from the Andreev level and how such injection is simulated using a voltage pulse are discussed. Recently, high-speed quantum-coherent electron sources injecting one- to few-particle excitations into the Fermi sea have been experimentally realized. The main obstacle to using these excitations as flying qubits for quantum-information processing purposes is decoherence due to the long-range Coulomb interaction. An obvious way to get around this difficulty is to employ electrically neutral excitations. Here it is discussed how such excitations can be generated on-demand using the same injection principles as in existing electron sources. Namely, with the help of a voltage pulse of a certain shape applied to the Fermi sea or using a driven quantum dot with superconducting correlations. The advantage of the latter approach is the possibility of varying the electron-hole content in the excitation and the possibility of creating a charge-neutral but spin-dipole excitation.Keywords: Andreev level, on-demand, single-electron, spin-dipole
Procedia PDF Downloads 89552 Green Synthesis (Using Environment Friendly Bacteria) of Silver-Nanoparticles and Their Application as Drug Delivery Agents
Authors: Sutapa Mondal Roy, Suban K. Sahoo
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The primary aim of this work is to synthesis silver nanoparticles (AgNPs) through environmentally benign routes to avoid any chemical toxicity related undesired side effects. The nanoparticles were stabilized with drug ciprofloxacin (Cp) and were studied for their effectiveness as drug delivery agent. Targeted drug delivery improves the therapeutic potential of drugs at the diseased site as well as lowers the overall dose and undesired side effects. The small size of nanoparticles greatly facilitates the transport of active agents (drugs) across biological membranes and allows them to pass through the smallest capillaries in the body that are 5-6 μm in diameter, and can minimize possible undesired side effects. AgNPs are non-toxic, inert, stable, and has a high binding capacity and thus can be considered as biomaterials. AgNPs were synthesized from the nutrient broth supernatant after the culture of environment-friendly bacteria Bacillus subtilis. The AgNPs were found to show the surface plasmon resonance (SPR) band at 425 nm. The Cp capped Ag nanoparticles formation was complete within 30 minutes, which was confirmed from absorbance spectroscopy. Physico-chemical nature of the AgNPs-Cp system was confirmed by Dynamic Light Scattering (DLS), Transmission Electron Microscopy (TEM) etc. The AgNPs-Cp system size was found to be in the range of 30-40 nm. To monitor the kinetics of drug release from the surface of nanoparticles, the release of Cp was carried out by careful dialysis keeping AgNPs-Cp system inside the dialysis bag at pH 7.4 over time. The drug release was almost complete after 30 hrs. During the drug delivery process, to understand the AgNPs-Cp system in a better way, the sincere theoretical investigation is been performed employing Density Functional Theory. Electronic charge transfer, electron density, binding energy as well as thermodynamic properties like enthalpy, entropy, Gibbs free energy etc. has been predicted. The electronic and thermodynamic properties, governed by the AgNPs-Cp interactions, indicate that the formation of AgNPs-Cp system is exothermic i.e. thermodynamically favorable process. The binding energy and charge transfer analysis implies the optimum stability of the AgNPs-Cp system. Thus, the synthesized Cp-Ag nanoparticles can be effectively used for biological purposes due to its environmentally benign routes of synthesis procedures, which is clean, biocompatible, non-toxic, safe, cost-effective, sustainable and eco-friendly. The Cp-AgNPs as biomaterials can be successfully used for drug delivery procedures due to slow release of drug from nanoparticles over a considerable period of time. The kinetics of the drug release show that this drug-nanoparticle assembly can be effectively used as potential tools for therapeutic applications. The ease of synthetic procedure, lack of possible chemical toxicity and their biological activity along with excellent application as drug delivery agent will open up vista of using nanoparticles as effective and successful drug delivery agent to be used in modern days.Keywords: silver nanoparticles, ciprofloxacin, density functional theory, drug delivery
Procedia PDF Downloads 384551 Predicting Durability of Self Compacting Concrete Using Artificial Neural Network
Authors: R. Boudjelthia
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The aim of this study is to determine the influence of mix composition of concrete as the content of water and cement, water–binder ratio, and the replacement of fly ash on the durability of self compacting concrete (SCC) by using artificial neural networks (ANNs). To achieve this, an ANNs model is developed to predict the durability of self compacting concrete which is expressed in terms of chloride ions permeability in accordance with ASTM C1202-97 or AASHTO T277. Database gathered from the literature for the training and testing the model. A sensitivity analysis was also conducted using the trained and tested ANN model to investigate the effect of fly ash on the durability of SCC. The results indicate that the developed model is reliable and accurate. the durability of SCC expressed in terms of total charge passed over a 6-h period can be significantly improved by using at least 25% fly ash as replacement of cement. This study show that artificial neural network have strong potentialas a feasible tool for predicting accurately the durability of SCC containing fly ash.Keywords: artificial neural networks, durability, chloride ions permeability, self compacting concrete
Procedia PDF Downloads 378550 Accelerated Expansion of a Matter-Antimatter Universe and Gravity as an Electromagnetic Force
Authors: Maarten J. Van der Burgt
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A universe containing matter and antimatter can only exist when matter and antimatter repel each other. Such a system, where like attracts like and like repels unlike, will always expand. Calculations made for such a symmetric universe demonstrate that the expansion is consistent with Hubble’s law, the observed increase in the expansion velocity with time, the initial high acceleration and the foam structure of the universe. Conversely, these observations can be considered as proof for a symmetrical universe and for antimatter possessing a negative gravitational mass. A second proof can be found by reinterpreting the behavior of relativistic moving charged particles. Attributing their behavior to a charge defect of √(1-v2/c2) instead of to a mass defect of 1/√(1-v2/c2) makes it plausible that gravitation is an electromagnetic force, as already suggested by Feynman. This would automatically imply that antimatter has a negative gravitational mass. These proofs underpin the untenability of the Weak Equivalence Principle which states that in a gravitational field all structure less point-like particles follow the same path.Keywords: celestial mechanics, cosmology, gravitation astrophysics, origin of structure, miscellaneous (matter and antimatter)
Procedia PDF Downloads 228549 Modeling Reflection and Transmission of Elastodiffussive Wave Sata Semiconductor Interface
Authors: Amit Sharma, J. N. Sharma
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This paper deals with the study of reflection and transmission characteristics of acoustic waves at the interface of a semiconductor halfspace and elastic solid. The amplitude ratios (reflection and transmission coefficients) of reflected and transmitted waves to that of incident wave varying with the incident angles have been examined for the case of quasi-longitudinal wave. The special cases of normal and grazing incidence have also been derived with the help of Gauss elimination method. The mathematical model consisting of governing partial differential equations of motion and charge carriers diffusion of n-type semiconductors and elastic solid has been solved both analytically and numerically in the study. The numerical computations of reflection and transmission coefficients has been carried out by using MATLAB programming software for silicon (Si) semiconductor and copper elastic solid. The computer simulated results have been plotted graphically for Si semiconductors. The study may be useful in semiconductors, geology, and seismology in addition to surface acoustic wave (SAW) devices.Keywords: quasilongitudinal, reflection and transmission, semiconductors, acoustics
Procedia PDF Downloads 391548 Unique NiO Based 1 D Core/Shell Nano-Heterostructure Electrodes for High-Performance Supercapacitor
Authors: Gobinda Gopal Khan, Ashutosh K. Singh, Debasish Sarkar
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Unique one-dimensional (1D) Ni-NiO and Co-Ni/Co3O4-NiO core/shell nano-heterostructures are fabricated by combining the electrochemical deposition and annealing. The high-performance pseudo-capacitor electrode based on the Ni-NiO and Co-Ni/Co3O4-NiO core/shell nano-heterostructures is designed and demonstrated. The Co-Ni/Co3O4-NiO core/shell nano-heterostructures exhibit high specific capacitance (2013 Fg-1 at 2.5 Ag-1), high energy and power density (23 Wh kg-1 and 5.5 kW kg-1, at the discharge current density of 20.8 A g-1.), good capacitance retention, and long cyclicality. The remarkable electrochemical property of the large surface area nano-heterostructures is demonstrated based on the novel nano-architectural design of the electrode with the coexistence of the two highly redox active materials at the surface supported by highly conducting metal alloy channel at the core for faster charge transport.Keywords: nano-heterostructures, energy storage, supercapacitors, electrochemical deposition
Procedia PDF Downloads 326547 Influence of Substitution on Structure of Tin Lantanium Pyrochlore La₂₋ₓSrₓSn₂O₇₋δ(0 ≤ x ≤ 0.25) Solid-Oxide Fuel Cells
Authors: Bounar Nedjemeddine
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Materials with the pyrochlore lattice structure have attracted much recent attention due to their wide applications in ceramic thermal barrier coatings, high-permittivity dielectrics, and potential solid electrolytes in solid-oxide fuel cells. The work described in this paper is devoted to the synthesis and characterization of a pyrochlore structure based on lanthanum (La₂O₃) and tin (SnO₂) oxides of general formula La₂Sn₂O₇, substituted by Sr at the site La. Their structures were determined from X-ray powder diffraction using CELFER analysis. All the compositions present the space group Fd-3m. The substitution of La by Sr in the La₂Sn₂O₇ compound causes a variation of the cell parameters. The difference in charge between La³⁺ and Sr²⁺ and the difference in size cause the cell parameters to decrease from a=10.7165 A° to a=10.6848 A° for the substitution rates (x = 0.05, 0.1, 0.15 ...), which leads to a decrease in the volume of the mesh. For a substitution rate x = 0.25, there is an increase in the cell parameters (a=10.7035A°), which can be explained by a competitiveness of the size effect and the presence of a gap in the structure which go in the opposite direction.Keywords: solid-oxide fuel cells, structure, pyrochlore, X-ray diffraction
Procedia PDF Downloads 127546 Investigation of the Cathodic Behavior of AA2024-T3 in Neutral Medium
Authors: Nisrine Benzbiria, Mohammed Azzi, Mustapha Zertoubi
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2XXX series of aluminum alloys are widely employed in several applications, such as beverages, automotive, and aerospace industries. However, they are particularly prone to localized corrosion, such as pitting, often induced by a difference in corrosion potential measured for intermetallic phases and pure metal. The galvanic cells comprising Al–Cu– Mn–Fe intermetallic phases control cathodically the dissolution rate as oxygen reduction reaction kinetics are privileged on Al–Cu–Mn–Fe particles. Hence, understanding the properties of cathode sites and the processes involved must be carried out. Our interest is to outline the cathodic behavior of AA2024-T3 in sodium sulfate solution using electrochemical techniques. Oxygen reduction reaction (ORR) was investigated in the mixed charge transfer and mass transport regime using the Koutecky-Levich approach. An environmentally benign inhibitor was considered to slow the ORR on the Cu-rich cathodic phases. The surface morphology of the electrodes was investigated with SEM/EDS and AFM. The obtained results were discussed accordingly.Keywords: AA2024-T3, neutral medium, ORR kinetics, Koutecky-Levich, DFT
Procedia PDF Downloads 53545 Understanding the Performance and Loss Mechanisms in Ag Alloy CZTS Solar Cells: Photocurrent Generation, Charge Separation, and Carrier Transport
Authors: Kang Jian Xian, Huda Abdullah, Md. Akhtaruzzaman, Iskandar Yahya, Mohd Hafiz Dzarfan Othman, Brian Yulianto
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The CZTS absorber layer doped with a silver (Ag) is one of the candidates that suggest improving the efficiency of thin films. Silver element functions to reduce antisite defects, increase grain size and create the plasmonic effect. In this work, an experimental study has been done to investigate the electrical and physical properties of CZTS, ACZTS, and AZTS. Ag replaces the Cu in (Cu1-xAgx)2ZnSnS4 (ACZTS) is up to x ≤1. ACZTS thin-films solar cells have been deposited by sol–the gel spin coating method. There are a total of 19 samples done with 11 significant percentages (0%, 10%, 20%… 100%) to show the whole phenomena of efficiency rate and nine specific percentages to find out the best concentration rate for Ag-doped. The obtained results can be helpful for better understanding ACZTS layers.Keywords: CZTS, ACZTS, AZTS, silver, antisite, efficiency, thin-film solar cell
Procedia PDF Downloads 92544 Homoleptic Complexes of a Tetraphenylporphyrinatozinc(II)-conjugated 2,2':6',6"-Terpyridine
Authors: Angelo Lanzilotto, Martin Kuss-Petermann, Catherine E. Housecroft, Edwin C. Constable, Oliver S. Wenger
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We recently described the synthesis of a new tetraphenylporphyrinatozinc(II)-conjugated 2,2':6',6"-terpyridine (1) in which the tpy domain enables the molecule to act as a metalloligand. The synthetic route to 1 has been optimized, the importance of selecting a particular sequence of synthetic steps will be discussed. Three homoleptic complexes have been prepared, [Zn(1)₂]²⁺, [Fe(1)₂]²⁺ and [Ru(1)₂]²⁺, and have been isolated as the hexafluoridophosphate salts. Spectroelectrochemical measurements have been performed and the spectral changes ascribed to redox processes are partitioned on either the porphyrin or the terpyridine units. Compound 1 undergoes a reversible one-electron oxidation/reduction. The removal/gain of a second electron leads to a further irreversible chemical transformation. For the homoleptic [M(1)₂]²⁺ complexes, a suitable potential can be chosen at which both the oxidation and the reduction of the {ZnTPP} core are reversible. When the homoleptic complex contains a redox active metal such as Fe or Ru, spectroelectrochemistry has been used to investigate the metal to ligand charge transfer (MLCT) transition. The latter is sensitive to the oxidation state of the metal, and electrochemical oxidation of the metal center suppresses it. Detailed spectroelectrochemical studies will be presented.Keywords: homoleptic complexes, spectroelectrochemistry, tetraphenylporphyrinatozinc(II), 2, 2':6', 6"-terpyridine
Procedia PDF Downloads 219543 Numerical Investigation of Oxy-Fuel Combustion in Gasoline Engine for Carbon Capture and Storage
Authors: Zhijun Peng, Xiang Li, Dayou Li, Raouf Mobasheri, Abdel Aitouche
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To implement carbon capture and storage (CCS) for eliminating carbon dioxide (CO₂) emissions, this paper describes a study on oxy-fuel combustion (OFC) with an ethanol-gasoline dual-fuel spark ignition (DFSI) engine under economical oxygen consumption at low and mid-high loads which was performed by 1D simulation. It is demonstrated that under OFC mode without other optimisation, brake mean effective pressure (BMEP) can meet the requirement at mid-high load, but it has a considerable decline at low load compared to conventional air combustion (CAC) mode. Moreover, there is a considerable deterioration in brake specific fuel consumption (BSFC) compared to that of CAC mode. A practical method is proposed to optimise the DFSI engine performance under OFC mode by changing intake charge components and utilising appropriate water injection (WI) strategies.Keywords: oxy-fuel combustion, dual-fuel spark ignition engine, ethanol, gasoline, computer simulation
Procedia PDF Downloads 91542 Spin-Polarized Investigation of Ferromagnetism on Magnetic Semiconductors MnxCa1-xS in the Rock-salt Phase
Authors: B. Ghebouli, M. A. Ghebouli, H. Choutri, M. Fatmi, L. Louail
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The structural, elastic, electronic and magnetic properties of the diluted magnetic semiconductors MnxCa1-xS in the rock-salt phase have been investigated using first-principles calculations. Features such as lattice constant, bulk modulus, elastic constants, spin-polarized band structure, total and local densities of states have been computed. We predict the values of the exchange constants and the band edge spin splitting of the valence and conduction bands. The hybridization between S-3p and Mn-3d produces small local magnetic moment on the nonmagnetic Ca and S sites. The ferromagnetism is induced due to the exchange splitting of S-3p and Mn-3d hybridized bands. The total magnetic moment per Mn of MnxCa1-xS is 4.4µB and is independent of the Mn concentration. The unfilled Mn -3d levels reduce the local magnetic moment of Mn from its free space charge value of 5µB to 4.4µB due to 3p–3d hybridization.Keywords: semiconductors, Ab initio calculations, band-structure, magnetic properties
Procedia PDF Downloads 354541 A Study on Unidirectional Analog Output Voltage Inverter for Capacitive Load
Authors: Sun-Ki Hong, Nam-HeeByeon, Jung-Seop Lee, Tae-Sam Kang
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For Common R or R-L load to apply arbitrary voltage, the bridge traditional inverters don’t have any difficulties by PWM method. However for driving some piezoelectric actuator, arbitrary voltage not a pulse but a steady voltage should be applied. Piezoelectric load is considered as R-C load and its voltage does not decrease even though the applied voltage decreases. Therefore it needs some special inverter with circuit that can discharge the capacitive energy. Especially for unidirectional arbitrary voltage driving like as sine wave, it becomes more difficult problem. In this paper, a charge and discharge circuit for unidirectional arbitrary voltage driving for piezoelectric actuator is proposed. The circuit has charging and discharging switches for increasing and decreasing output voltage. With the proposed simple circuit, the load voltage can have any unidirectional level with tens of bandwidth because the load voltage can be adjusted by switching the charging and discharging switch appropriately. The appropriateness is proved from the simulation of the proposed circuit.Keywords: DC-DC converter, analog output voltage, sinusoidal drive, piezoelectric load, discharging circuit
Procedia PDF Downloads 380540 The Evaluation of Electricity Generation and Consumption from Solar Generator: A Case Study at Rajabhat Suan Sunandha’s Learning Center in Samutsongkram
Authors: Chonmapat Torasa
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This paper presents the performance of electricity generation and consumption from solar generator installed at Rajabhat Suan Sunandha’s learning center in Samutsongkram. The result from the experiment showed that solar cell began to work and distribute the current into the system when the solar energy intensity was 340 w/m2, starting from 8:00 am to 4:00 pm (duration of 8 hours). The highest intensity read during the experiment was 1,051.64w/m2. The solar power was 38.74kWh/day. The electromotive force from solar cell averagely was 93.6V. However, when connecting solar cell with the battery charge controller system, the voltage was dropped to 69.07V. After evaluating the power distribution ability and electricity load of tested solar cell, the result showed that it could generate power to 11 units of 36-wattfluorescent lamp bulbs, which was altogether 396W. In the meantime, the AC to DC power converter generated 3.55A to the load, and gave 781VA.Keywords: solar cell, solar-cell power generating system, computer, systems engineering
Procedia PDF Downloads 325539 Amine Sulphonic Acid Additives for Improving Energy Storage Capacity in Alkaline Gallocyanine Flow Batteries
Authors: Eduardo Martínez González, Mousumi Dey, Pekka Peljo
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Transitioning to a renewable energy model is inevitable owing to the effects of climate change. These energies are aimed at sustainability and a positive impact on the environment, but they are intermittent energies; their connection to the electrical grid depends on creating long-term, efficient, and low-cost energy storage devices. Redox flow batteries are attractive technologies to address this problem, as they store energy in solution through external tanks known as posolyte (solution to storage positive charge) and negolyte (solution to storage negative charge). During the charging process of the device, the posolyte and negolyte solutions are pumped into an electrochemical cell (which has the anode and cathode separated by an ionic membrane), where they undergo oxidation and reduction reactions at electrodes, respectively. The electrogenerated species should be stable and diffuse into the bulk solution. It has been possible to connect gigantic redox flow batteries to the electrical grid. However, the devices created do not fit with the sustainability criteria since their electroactive material consists of vanadium (material scarce and expensive) solutions dissolved in an acidic medium (e.g., 9 mol L-1 of H₂SO₄) that is highly corrosive; so, work is being done on the design of organic-electroactive electrolytes (posolytes and nogolytes) for their operation at different pH values, including neutral medium. As a main characteristic, negolyte species should have low reduction potential values, while the reverse is true for the oxidation process of posolytes. A wide variety of negolytes that store 1 and up to 2 electrons per molecule (in aqueous medium) have been publised. Gallocyanine compound was recently introduced as an electroactive material for developing alkaline flow battery negolytes. The system can storage two electrons per molecule, but its unexpectedly low water solubility was improved with an amino sulphonic acid additive. The cycling stability of and improved gallocyanine electrolyte was demonstrated by operating a flow battery cell (pairing the system to a posolyte composed of ferri/ferrocyanide solution) outside a glovebox. We also discovered that the additive improves the solubility of gallocyanine, but there is a kinetic price to pay for this advantage. Therefore, in this work, the effect of different amino sulphonic acid derivatives on the kinetics and solubility of gallocyanine compound was studied at alkaline solutions. The additive providing a faster electron transfer rate and high solubility was tested in a flow battery cell. An aqueous organic flow battery electrolyte working outside a glovebox with 15 mAhL-1 will be discussed. Acknowledgments: To Bi3BoostFlowBat Project (2021-2025), funded by the European Research Concil. For support with infrastructure, reagents, and a postdoctoral fellowship to Dr. Martínez-González.Keywords: alkaline flow battery, gallocyanine electroactive material, amine-sulphonic acid additives, improved solubility
Procedia PDF Downloads 27538 Officinal Quality Assurance: Investigation near the Pharmacists Dispensary at Oran- Algeria
Authors: S. Boulenouar, A. Boukli Hacene, S. Brahmi
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Quality is an old concept but which recently became omnipresent in the society. It is a pledge of the well done job and therefore the satisfaction of the customer. Now, dispensing pharmacies seem to be held away from this approach. Officinal staff is called to dispense drugs. However this essential function is rarely studied and taken into account. To contribute to the good use of medicines and to reduce the dangers, it is important to consider the dispensation of drugs practised in the pharmacies. It is a both descriptive and retrospective study .The descriptive part is to conduct a survey near to the dispensary pharmacists. The retrospective section concentrates on the analysis of medicine prescriptions dispensed to patients. Following the survey that we carried out near the pharmacists of dispensary of the town of Oran, it appears that in majority, they are not inclined, by themselves, to take up the challenge of quality at the dispensary. The approach requires time and a motivation that pharmacists do not have for the moment. Efforts are still needed on the part of pharmacists, but also of authorities and organizations in charge of quality in the dispensary. At the end of this work, it seems to us that the implementation of a quality approach is part of our reflection on the added value of the pharmacist of dispensary in the drug chain.Keywords: customer satisfaction, dispensary, dispensing of the drug, quality approach
Procedia PDF Downloads 319537 Electrochemical Performance of Carbon Nanotube Based Supercapacitor
Authors: Jafar Khan Kasi, Ajab Khan Kasi, Muzamil Bokhari
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Carbon nanotube is one of the most attractive materials for the potential applications of nanotechnology due to its excellent mechanical, thermal, electrical and optical properties. In this paper we report a supercapacitor made of nickel foil electrodes, coated with multiwall carbon nanotubes (MWCNTs) thin film using electrophoretic deposition (EPD) method. Chemical vapor deposition method was used for the growth of MWCNTs and ethanol was used as a hydrocarbon source. High graphitic multiwall carbon nanotube was found at 750 C analyzing by Raman spectroscopy. We observed the electrochemical performance of supercapacitor by cyclic voltammetry. The electrodes of supercapacitor fabricated from MWCNTs exhibit considerably small equivalent series resistance (ESR), and a high specific power density. Electrophoretic deposition is an easy method in fabricating MWCNT electrodes for high performance supercapacitor.Keywords: carbon nanotube, chemical vapor deposition, catalyst, charge, cyclic voltammetry
Procedia PDF Downloads 562536 Excitation and Active Control of Charge Density Waves at Degenerately Doped PN++ Junctions
Authors: R. K. Vinnakota, D. A. Genov, Z. Dong, A. F. Briggs, L. Nordin, S. R. Bank, D. Wasserman
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We present a semiconductor-based plasmonic electro-optic modulator based on excitation and active control of surface plasmon polaritons (SPPs) at the interface of degenerately doped In₀.₅₃Ga₀.₄₇As pn++ junctions. Set of devices, which we refer to as a surface plasmon polariton diode (SPPD), are fabricated and characterized electrically and optically. Optical characterization predicts far-field voltage-aided reflectivity modulation for mid-IR wavelengths. Numerical device characterizations using a self-consistent electro-optic multiphysics model have been performed to confirm the experimental findings were predicting data rates up to 1Gbits/s and 3dB bandwidth as high as 2GHz. Our findings also show that decreasing the device dimensions can potentially lead to data rates of more than 50Gbits/s, thus potentially providing a pathway toward fast all-semiconductor-based plasmotronic devices.Keywords: plasmonics, optoelectronics, PN junctions, surface plasmon polaritons
Procedia PDF Downloads 111535 Theoretical and Experimental Investigation of Structural, Electrical and Photocatalytic Properties of K₀.₅Na₀.₅NbO₃ Lead- Free Ceramics Prepared via Different Synthesis Routes
Authors: Manish Saha, Manish Kumar Niranjan, Saket Asthana
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The K₀.₅Na₀.₅NbO₃ (KNN) system has emerged as one of the most promising lead-free piezoelectric over the years. In this work, we perform a comprehensive investigation of electronic structure, lattice dynamics and dielectric/ferroelectric properties of the room temperature phase of KNN by combining ab-initio DFT-based theoretical analysis and experimental characterization. We assign the symmetry labels to KNN vibrational modes and obtain ab-initio polarized Raman spectra, Infrared (IR) reflectivity, Born-effective charge tensors, oscillator strengths etc. The computed Raman spectrum is found to agree well with the experimental spectrum. In particular, the results suggest that the mode in the range ~840-870 cm-¹ reported in the experimental studies is longitudinal optical (LO) with A_1 symmetry. The Raman mode intensities are calculated for different light polarization set-ups, which suggests the observation of different symmetry modes in different polarization set-ups. The electronic structure of KNN is investigated, and an optical absorption spectrum is obtained. Further, the performances of DFT semi-local, metal-GGA and hybrid exchange-correlations (XC) functionals, in the estimation of KNN band gaps are investigated. The KNN bandgap computed using GGA-1/2 and HSE06 hybrid functional schemes are found to be in excellant agreement with the experimental value. The COHP, electron localization function and Bader charge analysis is also performed to deduce the nature of chemical bonding in the KNN. The solid-state reaction and hydrothermal methods are used to prepare the KNN ceramics, and the effects of grain size on the physical characteristics these ceramics are examined. A comprehensive study on the impact of different synthesis techniques on the structural, electrical, and photocatalytic properties of ferroelectric ceramics KNN. The KNN-S prepared by solid-state method have significantly larger grain size as compared to that for KNN-H prepared by hydrothermal method. Furthermore, the KNN-S is found to exhibit higher dielectric, piezoelectric and ferroelectric properties as compared to KNN-H. On the other hand, the increased photocatalytic activity is observed in KNN-H as compared to KNN-S. As compared to the hydrothermal synthesis, the solid-state synthesis causes an increase in the relative dielectric permittivity (ε^') from 2394 to 3286, remnant polarization (P_r) from 15.38 to 20.41 μC/cm^², planer electromechanical coupling factor (k_p) from 0.19 to 0.28 and piezoelectric coefficient (d_33) from 88 to 125 pC/N. The KNN-S ceramics are also found to have a lower leakage current density, and higher grain resistance than KNN-H ceramic. The enhanced photocatalytic activity of KNN-H is attributed to relatively smaller particle sizes. The KNN-S and KNN-H samples are found to have degradation efficiencies of RhB solution of 20% and 65%, respectively. The experimental study highlights the importance of synthesis methods and how these can be exploited to tailor the dielectric, piezoelectric and photocatalytic properties of KNN. Overall, our study provides several bench-mark important results on KNN that have not been reported so far.Keywords: lead-free piezoelectric, Raman intensity spectrum, electronic structure, first-principles calculations, solid state synthesis, photocatalysis, hydrothermal synthesis
Procedia PDF Downloads 49534 Analysis of Rainfall Hazard in North East of Algeria
Authors: Imene Skhakhfa, Lahbaci Ouerdachi
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The design of sewerage systems is directly related to rainfall, which has a highly random character. Showers are usually described by three characteristics: intensity, volume and duration. Several studies considered only in two of the three models. The objective of our work is to perform an analysis of the impact of three variables on put in charge of sewerage system, responsible for misbehavior, origin of urban flooding. 30 events were considered events for the longest, most rushed and most intense period which runs from 1986 -2001. We built the IDF curves and heavy projects double symmetrical triangles associated with this selection. A simulation of the operation, with the model canoe, sewage from the city of Annaba (Algeria) in the three rain solicitation project, double triangles associated with events considered. It appears that the sewage of the city of Annaba, in terms of charging, is much more sensitive to rain most precipitous, and the more intense causing loadings and last the longest. Further analysis of all the rain and the field measurements are underway to confirm the test simulations.Keywords: intensity, volume, duration, sewerage, design, simulation
Procedia PDF Downloads 445533 Disaster Preparedness for Academic Libraries in Malaysia: An Exploratory Study
Authors: Siti Juryiah Mohd Khalid, Norazlina Dol
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Academic libraries in Malaysia are still not prepared for disaster even though several occasions have been reported. The study sets out to assess the current status of preparedness in disaster management among Malaysian academic libraries in the State of Selangor and the Federal Territory of Kuala Lumpur. To obtain a base level of knowledge on disaster preparedness of current practices, a questionnaire was distributed to chief librarians or their assignees in charge of disaster or emergency preparedness at 40 academic libraries and 34 responses were received. The study revolved around the current status of preparedness, on various issues including existence of disaster preparedness plan among academic libraries in Malaysia, disaster experiences by the academic libraries, funding, risk assessment activities and involvement of library staff in disaster management. Frequency and percentage tables were used in the analysis of the data collected. Some of the academic libraries under study have experienced one form of disaster or the other. Most of the academic libraries do not have a written disaster preparedness plan. The risk assessments and staff involvement in disaster preparedness by these libraries were generally adequate.Keywords: academic libraries, disaster preparedness plan, disaster management, emergency plan
Procedia PDF Downloads 362532 Utility Assessment Model for Wireless Technology in Construction
Authors: Yassir AbdelRazig, Amine Ghanem
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Construction projects are information intensive in nature and involve many activities that are related to each other. Wireless technologies can be used to improve the accuracy and timeliness of data collected from construction sites and shares it with appropriate parties. Nonetheless, the construction industry tends to be conservative and shows hesitation to adopt new technologies. A main concern for owners, contractors or any person in charge on a job site is the cost of the technology in question. Wireless technologies are not cheap. There are a lot of expenses to be taken into consideration, and a study should be completed to make sure that the importance and savings resulting from the usage of this technology is worth the expenses. This research attempts to assess the effectiveness of using the appropriate wireless technologies based on criteria such as performance, reliability, and risk. The assessment is based on a utility function model that breaks down the selection issue into alternatives attribute. Then the attributes are assigned weights and single attributes are measured. Finally, single attribute are combined to develop one single aggregate utility index for each alternative.Keywords: analytic hierarchy process, decision theory, utility function, wireless technologies
Procedia PDF Downloads 342531 Modeling Electrical Properties of Hetero-Junction-Graphene/Pentacene and Gold/Pentacene
Authors: V. K. Lamba, Abhinandan Bharti
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We investigate the electronic transport properties across the graphene/ pentacene and gold/pentacene interface. Further, we studied the effect of ripples/bends in pentacene using NEGF-DFT approach. Current transport across the pentacene/graphene interface is found to be remarkably different from transport across pentacene/Gold interfaces. We found that current across these interfaces could be accurately modeled by a combination of thermionic and Poole–Frenkel emission. Further, the degree of bend or degrees of the curve formed during ripple formation strongly change the optimized geometric structures, charge distributions, energy bands, and DOS. The misorientation and hybridization of carbon orbitals are associated with a variation in bond lengths and carrier densities, and are the causes of the dramatic changes in the electronic structure during ripple formation. The electrical conductivity decreases with increase in curvature during ripple formation or due to bending of pentacene molecule and a decrease in conductivity is directly proportional to the increase in curvature angle and given by quadratic relation.Keywords: hetero-junction, grapheme, NEGF-DFT, pentacene, gold/pentacene
Procedia PDF Downloads 232530 A Comparison Between Different Discretization Techniques for the Doyle-Fuller-Newman Li+ Battery Model
Authors: Davide Gotti, Milan Prodanovic, Sergio Pinilla, David Muñoz-Torrero
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Since its proposal, the Doyle-Fuller-Newman (DFN) lithium-ion battery model has gained popularity in the electrochemical field. In fact, this model provides the user with theoretical support for designing the lithium-ion battery parameters, such as the material particle or the diffusion coefficient adjustment direction. However, the model is mathematically complex as it is composed of several partial differential equations (PDEs) such as Fick’s law of diffusion, the MacInnes and Ohm’s equations, among other phenomena. Thus, to efficiently use the model in a time-domain simulation environment, the selection of the discretization technique is of a pivotal importance. There are several numerical methods available in the literature that can be used to carry out this task. In this study, a comparison between the explicit Euler, Crank-Nicolson, and Chebyshev discretization methods is proposed. These three methods are compared in terms of accuracy, stability, and computational times. Firstly, the explicit Euler discretization technique is analyzed. This method is straightforward to implement and is computationally fast. In this work, the accuracy of the method and its stability properties are shown for the electrolyte diffusion partial differential equation. Subsequently, the Crank-Nicolson method is considered. It represents a combination of the implicit and explicit Euler methods that has the advantage of being of the second order in time and is intrinsically stable, thus overcoming the disadvantages of the simpler Euler explicit method. As shown in the full paper, the Crank-Nicolson method provides accurate results when applied to the DFN model. Its stability does not depend on the integration time step, thus it is feasible for both short- and long-term tests. This last remark is particularly important as this discretization technique would allow the user to implement parameter estimation and optimization techniques such as system or genetic parameter identification methods using this model. Finally, the Chebyshev discretization technique is implemented in the DFN model. This discretization method features swift convergence properties and, as other spectral methods used to solve differential equations, achieves the same accuracy with a smaller number of discretization nodes. However, as shown in the literature, these methods are not suitable for handling sharp gradients, which are common during the first instants of the charge and discharge phases of the battery. The numerical results obtained and presented in this study aim to provide the guidelines on how to select the adequate discretization technique for the DFN model according to the type of application to be performed, highlighting the pros and cons of the three methods. Specifically, the non-eligibility of the simple Euler method for longterm tests will be presented. Afterwards, the Crank-Nicolson and the Chebyshev discretization methods will be compared in terms of accuracy and computational times under a wide range of battery operating scenarios. These include both long-term simulations for aging tests, and short- and mid-term battery charge/discharge cycles, typically relevant in battery applications like grid primary frequency and inertia control and electrical vehicle breaking and acceleration.Keywords: Doyle-Fuller-Newman battery model, partial differential equations, discretization, numerical methods
Procedia PDF Downloads 23529 Depletion Layer Parameters of Al-MoO3-P-CdTe-Al MOS Structures
Authors: A. C. Sarmah
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The Al-MoO3-P-CdTe-Al MOS sandwich structures were fabricated by vacuum deposition method on cleaned glass substrates. Capacitance versus voltage measurements were performed at different frequencies and sweep rates of applied voltages for oxide and semiconductor films of different thicknesses. In the negative voltage region of the C-V curve a high differential capacitance of the semiconductor was observed and at high frequencies (<10 kHz) the transition from accumulation to depletion and further to deep depletion was observed as the voltage was swept from negative to positive. A study have been undertaken to determine the value of acceptor density and some depletion layer parameters such as depletion layer capacitance, depletion width, impurity concentration, flat band voltage, Debye length, flat band capacitance, diffusion or built-in-potential, space charge per unit area etc. These were determined from C-V measurements for different oxide and semiconductor thicknesses.Keywords: debye length, depletion width, flat band capacitance, impurity concentration
Procedia PDF Downloads 451528 The Use of Substances and Sports Performance among Youth: Implications for Lagos State Sports
Authors: Osifeko Olalekan Remigious, Adesanya Adebisi Joseph, Omolade Akinmade Olatunde
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The focus of this study was to determine the factors associated with the use of substances for sport performance of youth in Lagos state sport. Questionnaire was the instrument used for the study. Descriptive research method was used. The estimated population for the study was 2000 sport men and women. The sample size was 200 respondents for purposive sampling techniques were used. The instrument was validated in it content and constructs value. The instrument was administered with the assistance of the coaches. Same 200 copies administered were returned. The data obtained was analysed using simple percentage and chi-square (x2) for stated hypothesis at 0.05 level of significance. The finding reveal that sport injuries exercise induced and anaphylaxis and asthma and feeling of loss of efficacy associated with alcohol used on sport performance among the users of substances. Alcohol users are recommended to partake in sport like swimming, basketball and volleyball because they have space of time for resting while at play. Government should be fully in charge of the health of sport men and women.Keywords: implications, Lagos state, substances, sports performance, youth
Procedia PDF Downloads 580527 The Layered Transition Metal Dichalcogenides as Materials for Storage Clean Energy: Ab initio Investigations
Authors: S. Meziane, H. I. Faraoun, C. Esling
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Transition metal dichalcogenides have potential applications in power generation devices that convert waste heat into electric current by the so-called Seebeck and Hall effects thus providing an alternative energy technology to reduce the dependence on traditional fossil fuels. In this study, the thermoelectric properties of 1T and 2HTaX2 (X= S or Se) dichalcogenide superconductors have been computed using the semi-classical Boltzmann theory. Technologically, the task is to fabricate suitable materials with high efficiency. It is found that 2HTaS2 possesses the largest value of figure of merit ZT= 1.27 at 175 K. From a scientific point of view, we aim to model the underlying materials properties and in particular the transport phenomena as mediated by electrons and lattice vibrations responsible for superconductivity, Charge Density Waves (CDW) and metal/insulator transitions as function of temperature. The goal of the present work is to develop an understanding of the superconductivity of these selected materials using the transport properties at the fundamental level.Keywords: Ab initio, High efficiency, Power generation devices, Transition metal dichalcogenides
Procedia PDF Downloads 197526 Synthesis of Novel Organic Dyes Based on Indigo for Dye-Sensitized Solar Cells
Authors: M. Hosseinnejad, K. Gharanjig, S. Moradian
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A novel metal free organic dyes based on indigo was prepared and used as sensitizers in dye-sensitized solar cells. The synthesized dye together with its corresponding intermediates were purified and characterized by analytical techniques. Such techniques confirmed the corresponding structures of dye and its intermediate and the yield of all the stages of dye preparation were calculated to be above 85%. Fluorometric analyses show fluorescence in the green region of the visible spectrum for dye. Oxidation potential measurements for dye ensured an energetically permissible and thermodynamically favourable charge transfer throughout the continuous cycle of photo-electric conversion. Finally, dye sensitized solar cells were fabricated in order to determine the photovoltaic behaviour and conversion efficiencies of dye. Such evaluations demonstrate rather medium conversion efficiencies of 2.33% for such simple structured synthesized dye. Such conversion efficiencies demonstrate the potentiality of future use of such dye structures in dye-sensitized solar cells with respect to low material costs, ease of molecular tailoring, high yields of reactions, high performance and ease of recyclability.Keywords: conversion efficiency, Dye-sensitized solar cells, indigo, photonic material
Procedia PDF Downloads 368525 The Extension of Monomeric Computational Results to Polymeric Measurable Properties: An Introductory Computational Chemistry Experiment
Authors: Jing Zhao, Yongqing Bai, Qiaofang Shi, Huaihao Zhang
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Advances in software technology enable computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.Keywords: upper-division undergraduate, computer-based learning, laboratory instruction, molecular modeling
Procedia PDF Downloads 133524 Energy Dynamics of Solar Thermionic Power Conversion with Emitter of Graphene
Authors: Olukunle C. Olawole, Dilip K. De, Moses Emetere, Omoje Maxwell
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Graphene can stand very high temperature up to 4500 K in vacuum and has potential for application in thermionic energy converter. In this paper, we discuss the application of energy dynamics principles and the modified Richardson-Dushman Equation, to estimate the efficiency of solar power conversion to electrical power by a solar thermionic energy converter (STEC) containing emitter made of graphene. We present detailed simulation of power output for different solar insolation, diameter of parabolic concentrator, area of the graphene emitter (same as that of the collector), temperature of the collector, physical dimensions of the emitter-collector etc. After discussing possible methods of reduction or elimination of space charge problem using magnetic field and gate, we finally discuss relative advantages of using emitters made of graphene, carbon nanotube and metals respectively in a STEC.Keywords: graphene, high temperature, modified Richardson-Dushman equation, solar thermionic energy converter
Procedia PDF Downloads 309