Search results for: charge density distribution

Authors: Drissi Mokhtaria, Chouaih Abdelkader, Fodil Hamzaoui

Abstract:

Our work is about a comparison of experimental and theoretical results of the electron charge density distribution and the electrostatic potential around the M-Nitrophenol Molecule (m-NPH) kwon for its interesting physical characteristics. The molecular experimental results have been obtained from a high-resolution X-ray diffraction study. Theoretical investigations were performed under the Gaussian program using the Density Functional Theory at B3LYP level of theory at 6-31G*. The multipolar model of Hansen and Coppens was used for the experimental electron charge density distribution around the molecule, while we used the DFT methods for the theoretical calculations. The electron charge density obtained in both methods allowed us to find out the different molecular properties such us the electrostatic potential and the dipole moment which were finally subject to a comparison leading to an outcome of a good matching results obtained in both methods.

Keywords: electron charge density, m-nitrophenol, nonlinear optical compound, electrostatic potential, optimized geometric

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Authors: Y. Megrous, A. Chouaih, F. Hamzaoui

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The crystal structure of 4-Methyl-7-(salicylideneamino)coumarin C17H13NO3has been determined using X-ray diffraction to establish the configuration and stereochemistry of the molecule. This crystal is characterized by its nolinear activity. The molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment in-crystal have been determined in order to understand the nature of inter-and intramolecular charge transfer. The study present the thermal motion and the structural analysis obtained from the least-square refinement on F2,this study has also allowed us to determine the electrostatic potential and therefore locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: electron charge density, net atomic charge, molecular dipole moment, X-ray diffraction

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Authors: Dilip K. De, Olukunle C. Olawole, Emmanuel S. Joel, Moses Emetere

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A good number of electronic properties such as electrical and thermal conductivities depend on charge carrier densities of nanomaterials. By controlling the charge carrier densities during the fabrication (or growth) processes, the physical properties can be tuned. In this paper, we discuss a new technique of estimating the charge carrier densities of nanomaterials from the thermionic emission data using the newly modified Richardson-Dushman equation. We find that the technique yields excellent results for graphene and carbon nanotube.

Keywords: charge carrier density, nano materials, new technique, thermionic emission

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Authors: Sirapat Lookrak, Anol Paisal

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Space debris has numerous manifestations, including ferro-metalize and non-ferrous. The electric field will induce negative charges to split from positive charges inside the space debris. In this research, we focus only on conducting materials. The assumption is that the electric charge density of a conducting surface is proportional to the electric field on that surface due to Gauss's Law. We are trying to find the induced charge density from an external electric field perpendicular to a conducting spherical surface. An object is a sphere on which the external electric field is not uniform. The electric field is, therefore, considered locally. The localised spherical surface is a tangent plane, so the Gaussian surface is a very small cylinder, and every point on a spherical surface has its own cylinder. The electric field from a circular electrode has been calculated in near-field and far-field approximation and shown Explanation Touchless maneuvering space debris orbit properties. The electric charge density calculation from a near-field and far-field approximation is done.

Keywords: near-field approximation, far-field approximation, localized Gauss’s law, electric charge density

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Authors: Hongda Guo, Wenxia Sima

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Transformer oil is widely used in power systems because of its excellent insulation properties. The accurate measurement of electric field and space charge distribution in transformer oil under high voltage impulse has important theoretical and practical significance, but still remains challenging to date because of its low Kerr constant. In this study, the continuous electric field and space charge distribution over time between parallel-plate electrodes in high-voltage pulsed transformer oil based on the Kerr effect is directly measured using a linear array photoelectrical detector. Experimental results demonstrate the applicability and reliability of this method. This study provides a feasible approach to further study the space charge effects and breakdown mechanisms in transformer oil.

Keywords: electric field, Kerr, space charge, transformer oil

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Authors: Surajit Das Barman, Rakibuzzaman Shah, Apurv Kumar

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Bushfire is known as one of the ascendant factors to create pyrocumulus thundercloud that causes the ignition of new fires by pyrocumulonimbus (pyroCb) lightning strikes and creates major losses of lives and property worldwide. A conceptual model-based risk planning would be beneficial to predict the lightning striking zones on the surface of the earth underneath the pyroCb thundercloud. PyroCb thundercloud can generate both positive cloud-to-ground (+CG) and negative cloud-to-ground (-CG) lightning in which +CG tends to ignite more bushfires and cause massive damage to nature and infrastructure. In this paper, a simple line charge structured thundercloud model is constructed in 2-D coordinates using the method of image charge to predict the probable +CG lightning striking zones on the earth’s surface for two conceptual thundercloud charge configurations: titled dipole and conventional tripole structure with excessive lower positive charge regions that lead to producing +CG lightning. The electric potential and surface charge density along the earth’s surface for both structures via continuously adjusting the position and the charge density of their charge regions is investigated. Simulation results for tilted dipole structure confirm the down-shear extension of the upper positive charge region in the direction of the cloud’s forward flank by 4 to 8 km, resulting in negative surface density, and would expect +CG lightning to strike within 7.8 km to 20 km around the earth periphery in the direction of the cloud’s forward flank. On the other hand, the conceptual tripole charge structure with enhanced lower positive charge region develops negative surface charge density on the earth’s surface in the range |x| < 6.5 km beneath the thundercloud and highly favors producing +CG lightning strikes.

Keywords: pyrocumulonimbus, cloud-to-ground lightning, charge structure, surface charge density, forward flank

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Authors: A. Chouaih, N. Benhalima, N. Boukabcha, R. Rahmani, F. Hamzaoui

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Zwitterionic compounds have received the interest of chemists and physicists due to their applications as nonlinear optical materials. Recently, zwitterionic compounds exhibiting high nonlinear optical activity have been investigated. In this context, the molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. In this crystal, the molecules form dimers via intermolecular hydrogen bonds. The dimers are further linked by C–H...O hydrogen bonds into chains along the c crystallographic axis. This study has also allowed us to determine various nonlinear optical properties such as molecular electrostatic potential, polarizability, and hyperpolarizability of the title compound.

Keywords: organic compounds, polarizability, hyperpolarizability, dipole moment

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Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

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We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

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Authors: A. Amar

Abstract:

A new model, namely the crystal model, has been modified to calculate the radius and density distribution of light nuclei up to ⁸Be. The crystal model has been modified according to solid-state physics, which uses the analogy between nucleon distribution and atoms distribution in the crystal. The model has analytical analysis to calculate the radius where the density distribution of light nuclei has obtained from analogy of crystal lattice. The distribution of nucleons over crystal has been discussed in a general form. The equation that has been used to calculate binding energy was taken from the solid-state model of repulsive and attractive force. The numbers of the protons were taken to control repulsive force, where the atomic number was responsible for the attractive force. The parameter has been calculated from the crystal model was found to be proportional to the radius of the nucleus. The density distribution of light nuclei was taken as a summation of two clusters distribution as in ⁶Li=alpha+deuteron configuration. A test has been done on the data obtained for radius and density distribution using double folding for d+⁶,⁷Li with M3Y nucleon-nucleon interaction. Good agreement has been obtained for both the radius and density distribution of light nuclei. The model failed to calculate the radius of ⁹Be, so modifications should be done to overcome discrepancy.

Keywords: nuclear physics, nuclear lattice, study nucleus as crystal, light nuclei till to ⁸Be

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Authors: Douglas Yeboah, Monishka Narayan, Jai Singh

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One of the key parameters in determining the power conversion efficiency (PCE) of organic solar cells (OSCs) is the open-circuit voltage, however, it is still not well understood. In order to examine the performance of OSCs, it is necessary to understand the losses associated with the open-circuit voltage and how best it can be improved. Here, an analytical expression for the open-circuit voltage of bulk heterojunction (BHJ) OSCs is derived from the charge carrier densities without considering the drift-diffusion current. The open-circuit voltage thus obtained is dependent on the donor-acceptor band gap, the energy difference between the highest occupied molecular orbital (HOMO) and the hole quasi-Fermi level of the donor material, temperature, the carrier density (electrons), the generation rate of free charge carriers and the bimolecular recombination coefficient. It is found that open-circuit voltage increases when the carrier density increases and when the temperature decreases. The calculated results are discussed in view of experimental results and agree with them reasonably well. Overall, this work proposes an alternative pathway for improving the open-circuit voltage in BHJ OSCs.

Keywords: charge carrier density, open-circuit voltage, organic solar cells, temperature

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Authors: Reza Nasrollahpour, Mohamad Hidayat Bin Jamal, Zulhilmi Bin Ismail

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Density currents are generated when the fluid of one density is released into another fluid with a different density. These currents occur in a variety of natural and man-made environments, and this emphasises the importance of studying them. In most practical cases, the density currents flow over the surfaces which are not plane; however, there have been limited investigations in this regard. This study uses laboratory experiments to analyse the influence of bottom roughness on the velocity distribution within these dense underflows. The currents are analysed over a plane surface and three different configurations of beam-roughened beds. The velocity profiles are collected using Acoustic Doppler Velocimetry technique, and the distribution of velocity within these currents is formulated for the tested beds. The results indicate that the empirical power and Gaussian relations can describe the velocity distribution in the inner and outer regions of the profiles, respectively. Moreover, it is found that the bottom roughness is the primary controlling parameter in the inner region.

Keywords: density currents, velocity profiles, Acoustic Doppler Velocimeter, bed roughness

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Authors: Ameni Mahmoudi, Manel Troudi, Paolo Bondavalli, Nabil Sghaier

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In this study, the charge storage on thin-film SWCNT transistors was investigated, and C-V hysteresis tests showed that interface charge trapping effects predominate the memory window. Two electrode materials were utilized to demonstrate that selecting the appropriate metal electrode clearly improves the conductivity and, consequently, the SWCNT thin-film’s memory effect. Because their work function is similar to that of thin-film carbon nanotubes, Ti contacts produce higher charge confinement and show greater charge storage than Pd contacts. For Pd-contact CNTFETs and CNTFETs with Ti electrodes, a sizable clockwise hysteresis window was seen in the dual sweep circle with a threshold voltage shift of V11.52V and V9.7V, respectively. The SWCNT thin-film based transistor is expected to have significant trapping and detrapping charges because of the large C-V hysteresis. We have found that the predicted stored charge density for CNTFETs with Ti contacts is approximately 4.01×10-2C.m-2, which is nearly twice as high as the charge density of the device with Pd contacts. We have shown that the amount of trapped charges can be changed by sweeping the range or Vgs rate. We also looked into the variation in the flat band voltage (V FB) vs. time in order to determine the carrier retention period in CNTFETs with Ti and Pd electrodes. The outcome shows that memorizing trapped charges is about 300 seconds, which is a crucial finding for memory function mimicking.

Keywords: charge storage, thin-film SWCNT based transistors, C-V hysteresis, memory effect, trapping and detrapping charges, stored charge density, the carrier retention time

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Authors: H. Medoukali, B. Zegnini

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Insulation techniques in high-voltage cables rely heavily on chemically synapsed polyethylene. The latter may contain manufacturing defects such as small cavities, for example. The presence of the cavity affects the distribution of the electric field at the level of the insulating layer; this change in the electric field is affected by the presence of different space charge densities within the insulating material. This study is carried out by performing simulations to determine the distribution of the electric field inside the insulator. The simulations are based on the creation of a two-dimensional model of a high-voltage cable of 154 kV using the COMSOL Multiphysics software. Each time we study the effect of changing the space charge density of on the electromechanical Constraints.

Keywords: COMSOL multiphysics, electric field, HVDC, microcavities, space charges, XLPE

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Authors: Bachir Chemani, Rachid Halfaoui

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The aim of work is to define the distribution density of winding yarn on cylindrical and conical bobbins. It is known that parallel winding gives greater density and more regular distribution, but the unwinding of yarn is much more difficult for following process. The conical spool has an enormous advantage during unwinding and may contain a large amount of yarns, but the density distribution is not regular because of difference in diameters. The variation of specific density over the reel height is explained generally by the sudden change of winding speed due to direction movement variation of yarn. We determined the conditions of uniform winding and developed a calculate model to the change of the specific density of winding wire over entire spool height.

Keywords: textile, cylindrical bobbins, conical bobbins, parallel winding, cross winding

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Authors: A. Albar, U. Schwingenschlogel

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Device applications of transparent conducting oxides require a thorough understanding of the physical and chemical properties of the involved interfaces. We use ab-initio calculations within density functional theory to investigate the electronic states at the SnO/SnO2 hetero-interface. Tin dioxide and monoxide are transparent materials with high n-type and p-type mobilities, respectively. This work aims at exploring the modifications of the electronic states, in particular the charge transfer, in the vicinity of the hetero-interface. The (110) interface is modeled by a super-cell approach in order to minimize the mismatch between the lattice parameters of the two compounds. We discuss the electronic density of states as a function of the distance to the interface.

Keywords: density of states, ab-initio calculations, interface states, charge transfer

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Authors: Zhipeng Dong, Jing Guo

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Graphene-semiconductor contacts have been extensively studied recently, both as a stand-alone diode device for potential applications in photodetectors and solar cells, and as a building block to vertical transistors. Graphene is a two-dimensional nanomaterial with vanishing density-of-states at the Dirac point, which differs from conventional metal. In this work, image-charge-induced barrier lowering (BL) in graphene-semiconductor contacts is studied and compared to that in metal Schottky contacts. The results show that despite of being a semimetal with vanishing density-of-states at the Dirac point, the image-charge-induced BL is significant. The BL value can be over 50% of that of metal contacts even in an intrinsic graphene contacted to an organic semiconductor, and it increases as the graphene doping increases. The dependences of the BL on the electric field and semiconductor dielectric constant are examined, and an empirical expression for estimating the image-charge-induced BL in graphene-semiconductor contacts is provided.

Keywords: graphene, semiconductor materials, schottky barrier, image charge, contacts

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Authors: Jianjia Wang, Tong Yu, Haoran Zhu, Kun Liu, Jinwei Hao

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The underlying pattern in the modern city is agglomeration. To some degree, the distribution of urban spatial density can be used to describe the status of this assemblage. There are three intrinsic characteristics to measure urban spatial density, namely, Floor Area Ratio (FAR), Building Coverage Ratio (BCR), and Average Storeys (AS). But the underlying mechanism that contributes to these quantities is still vague in the statistical urban study. In this paper, we explore the corresponding extrinsic factors related to spatial density. These factors can further provide the potential influence on the intrinsic quantities. Here, we take Shanghai Inner Ring Area and Manhattan in New York as examples to analyse the potential impacts on urban spatial density with six selected extrinsic elements. Ebery single factor presents the correlation to the spatial distribution, but the overall global impact of all is still implicit. To handle this issue, we attempt to develop the Boltzmann statistical model to explicitly explain the mechanism behind that. We derive a corresponding novel quantity, called capacity, to measure the global effects of all other extrinsic factors to the three intrinsic characteristics. The distribution of capacity presents a similar pattern to real measurements. This reveals the nonlinear influence on the multi-factor relations to the urban spatial density in agglomeration.

Keywords: urban spatial density, Boltzmann statistics, multi-factor correlation, spatial distribution

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Authors: Diego Luján Villarreal

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Retinal prosthetic devices aim to repair some vision in visual impairment patients by stimulating electrically neural cells in the visual system. In this study, the 3D linear electrode carrier is presented. A simulation framework was developed by placing the 3D carrier 1 mm away from the fovea center at the highest-density cell. Cell stimulation is verified in COMSOL Multiphysics by developing a 3D computational model which includes the relevant retinal interface elements and dynamics of the voltage-gated ionic channels. Current distribution resulting from low threshold amplitudes produces a small volume equivalent to the volume confined by individual cells at the highest-density cell using small-sized electrodes. Delicate retinal tissue is protected by excessive charge density

Keywords: retinal prosthetic devices, visual devices, retinal implants., visual prosthetic devices

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Authors: Serge B. Provost, Yishan Zhang

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A moment-based adjustment to the saddlepoint approximation is introduced in the context of density estimation. First applied to univariate distributions, this methodology is extended to the bivariate case. It then entails estimating the density function associated with each marginal distribution by means of the saddlepoint approximation and applying a bivariate adjustment to the product of the resulting density estimates. The connection to the distribution of empirical copulas will be pointed out. As well, a novel approach is proposed for estimating the support of distribution. As these results solely rely on sample moments and empirical cumulant-generating functions, they are particularly well suited for modeling massive data sets. Several illustrative applications will be presented.

Keywords: empirical cumulant-generating function, endpoints identification, saddlepoint approximation, sample moments, density estimation

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Authors: C. Temaneh-Nyah, F. A. Phiri, D. Karegeya

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This paper presents an algorithm for obtaining the map of subscriber’s density distribution for a mobile wireless communication network based on the actual subscriber's traffic data obtained from the base station. This is useful in statistical characterization of the mobile wireless network.

Keywords: electromagnetic compatibility, statistical analysis, simulation of communication network, subscriber density

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Authors: Olukunle C. Olawole, Dilip Kumar De

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We have modified Richardson-Dushman equation considering thermal expansion of lattice and change of chemical potential with temperature in material. The corresponding modified Richardson-Dushman (MRDE) equation fits quite well the experimental data of thermoelectronic current density (J) vs T from carbon nanotubes. It provides a unique technique for accurate determination of W0 Fermi energy, EF0 at 0 K and linear thermal expansion coefficient of carbon nano-tube in good agreement with experiment. From the value of EF0 we obtain the charge carrier density in excellent agreement with experiment. We describe application of the equations for the evaluation of performance of concentrated solar thermionic energy converter (STEC) with emitter made of carbon nanotube for future applications.

Keywords: carbon nanotube, modified Richardson-Dushman equation, fermi energy at 0 K, charge carrier density

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Authors: Nebbat El Amine

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The void is a dust free region inside the dust cloud in the plasma. It is found that the dust grain charge variation lead to the extension of the void. Moreover, for bigger dust grains, it is seen that the wave-like structure recedes when charge variation is dealt with. Furthermore, as the grain-grain distance is inversely proportional to density, the grain-grain interaction gets more important for a denser dust population and is to be included in momentum equation. For the result indicate above, the plasma is considered non viscous. But in fact, it’s not always true. Some authors measured experimentally the viscosity of this background and found that the viscosity of dusty plasma increase with background gas pressure. In this paper, we tack account the viscosity of the fluid, and we compare the result with that found in the recent work.

Keywords: voids, dusty plasmas, variable charge, viscosity

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Authors: Partha P. Gopmandal, Somnath Bhattacharyya, Naren Bag

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In this article, we have studied the effect of pH-regulated surface charge on the electroosmotic flow (EOF) through nanochannel filled with binary symmetric electrolyte solution. The channel wall possesses either an acidic or a basic functional group. Going beyond the widely employed Debye-Huckel linearization, we develop a mathematical model based on Nernst-Planck equation for the charged species, Poisson equation for the induced potential, Stokes equation for fluid flow. A finite volume based numerical algorithm is adopted to study the effect of key parameters on the EOF. We have computed the coupled governing equations through the finite volume method and our results found to be in good agreement with the analytical solution obtained from the corresponding linear model based on low surface charge condition or strong electrolyte solution. The influence of the surface charge density, reaction constant of the functional groups, bulk pH, and concentration of the electrolyte solution on the overall flow rate is studied extensively. We find the effect of surface charge diminishes with the increase in electrolyte concentration. In addition for strong electrolyte, the surface charge becomes independent of pH due to complete dissociation of the functional groups.

Keywords: electroosmosis, finite volume method, functional group, surface charge

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Authors: Qingying Liu, S. Liu, L. Hao, B. Zhang, J. D. Yan

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HVDC technology is becoming increasingly popular due to its simplicity in topology and less power loss over long distance of power transmission, in comparison with HVAC technology. However, the dielectric behavior of insulators in the long term under HVDC stress is completely different from that under HVAC stress as a result of charge accumulation in a constant electric field. Insulators used in practical systems are never perfect in their structural conditions. Over time shallow cracks may develop on their surface. The presence of defects can lead to drastic change in their dielectric behaviour and thus increase the probability of surface flashover. In this contribution, experimental investigations have been carried out on the charge accumulation phenomenon on the surface of a rod insulator made of epoxy that is placed between two disk shaped electrodes at different voltage levels and in different gases (SF6, CO2 and N2). Many results obtained, such as, the two-dimensional electrostatic potential distribution along the insulator surface after the removal of the power source following a pre-defined period of application. The probe has been carefully calibrated before each test. Results show that surface charge distribution near the two disk shaped electrodes is not uniform in the circumferential direction, possibly due to the imperfect electrical connections between the embeded conductor in the insulator and the disk shaped electrodes. The axial length of this non-uniform region is experimentally determined, which provides useful information for shielding design. A charge transport model is also used to explain the formation of the long term electrostatic potential distribution under a constant applied voltage.

Keywords: HVDC, power systems, dielectric behavior, insulation, charge accumulation

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Authors: Ashish Soni, Suman Kalyan Pal

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Transition metal dichalcogenides (TMDCs) are an emerging paradigm for the generation of advanced materials which are capable of utilizing in future device applications. In recent years TMDCs have attracted researchers for their unique band structure in monolayers. Large-area monolayers could become the most appropriate candidate for flexible and thin optoelectronic devices. For this purpose, it is crucial to understand the generation and transport of charge carriers in low dimensions. A deep understanding of photo-generated hot charges and trapped charges is essential to improve the performance of optoelectronic devices. Carrier trapping by the defect states that are introduced during the growth process of the monolayer could influence the dynamical behaviour of charge carriers. Herein, we investigated some aspects of the ultrafast evolution of the initially generated hot carriers and trapped charges in large-area monolayer WS₂ by measuring transient absorption at energies above and below the band gap energy. Our excitation density and energy-dependent measurements reveal the trapping of the initially generated charge carrier. Our results could be beneficial for the development of TMDC-based optoelectronic devices.

Keywords: transient absorption, optoelectronics, 2D materials, TMDCs, exciton

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Authors: Yawen Dai, Ping Cheng, Jian Ru Gong

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Photoelctrochemical (PEC) water splitting using semiconductors (SCs) provides a convenient way to convert sustainable but intermittent solar energy into clean hydrogen energy, and it has been regarded as one of most promising technology to solve the energy crisis and environmental pollution in modern society. However, the record energy conversion efficiency of a PEC cell (~3%) is still far lower than the commercialization requirement (~10%). The sluggish kinetics of oxygen evolution reaction (OER) half reaction on photoanodes is a significant limiting factor of the PEC device efficiency, and electrocatalysts (ECs) are always deposited on SCs to accelerate the hole injection for OER. However, an active EC cannot guarantee enhanced PEC performance, since the newly emerged SC-EC interface complicates the interfacial charge behavior. Herein, α-Fe2O3 photoanodes coated with Co3O4 and CoO ECs are taken as the model system to glean fundamental understanding on the EC-dependent interfacial charge behavior. Intensity modulated photocurrent spectroscopy and electrochemical impedance spectroscopy were used to investigate the competition between interfacial charge transfer and recombination, which was found to be dominated by the charge storage capacities of ECs. The combined results indicate that both ECs can store holes and increase the hole density on photoanode surface. It is like a double-edged sword that benefit the multi-hole participated OER, as well as aggravate the SC-EC interfacial charge recombination due to the Coulomb attraction, thus leading to a nonmonotonic PEC performance variation trend with the increasing surface hole density. Co3O4 has low hole storage capacity which brings limited interfacial charge recombination, and thus the increased surface holes can be efficiently utilized for OER to generate enhanced photocurrent. In contrast, CoO has overlarge hole storage capacity that causes severe interfacial charge recombination, which hinders hole transfer to electrolyte for OER. Therefore, the PEC performance of α-Fe2O3 is improved by Co3O4 but decreased by CoO despite the similar electrocatalytic activity of the two ECs. First-principle calculation was conducted to further reveal how the charge storage capacity depends on the EC’s intrinsic property, demonstrating that the larger hole storage capacity of CoO than that of Co3O4 is determined by their Co valence states and original Fermi levels. This study raises up a new strategy to manipulate interfacial charge behavior and the resultant PEC performance by the charge storage capacity of ECs, providing insightful guidance for the interface design in PEC devices.

Keywords: charge storage capacity, electrocatalyst, interfacial charge behavior, photoelectrochemistry, water-splitting

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Authors: Erin M. Durke, Monica L. McEntee, Meilu He, Suresh Dhaniyala

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Aerosols are one of the most important and significant surfaces in the atmosphere. They can influence weather, absorption, and reflection of light, and reactivity of atmospheric constituents. A notable feature of aerosol particles is the presence of a surface charge, a characteristic imparted via the aerosolization process. The existence of charge can complicate the interrogation of aerosol particles, so many researchers remove or neutralize aerosol particles before characterization. However, the charge is present in real-world samples, and likely has an effect on the physical and chemical properties of an aerosolized material. In our studies, we aerosolized different materials in an attempt to characterize the charge imparted via the aerosolization process and determine what impact it has on the aerosolized materials’ properties. The metal oxides, TiO₂ and SiO₂, were aerosolized expulsively and then characterized, using several different techniques, in an effort to determine the surface charge imparted upon the particles via the aerosolization process. Particle charge distribution measurements were conducted via the employment of a custom scanning mobility particle sizer. The results of the charge distribution measurements indicated that expulsive generation of 0.2 µm SiO₂ particles produced aerosols with upwards of 30+ charges on the surface of the particle. Determination of the degree of surface charging led to the use of non-traditional techniques to explore the impact of additional surface charge on the overall reactivity of the metal oxides, specifically TiO₂. TiO₂ was aerosolized, again expulsively, onto a gold-coated tungsten mesh, which was then evaluated with transmission infrared spectroscopy in an ultra-high vacuum environment. The TiO₂ aerosols were exposed to O₂, H₂, and CO, respectively. Exposure to O₂ resulted in a decrease in the overall baseline of the aerosol spectrum, suggesting O₂ removed some of the surface charge imparted during aerosolization. Upon exposure to H₂, there was no observable rise in the baseline of the IR spectrum, as is typically seen for TiO₂, due to the population of electrons into the shallow trapped states and subsequent promotion of the electrons into the conduction band. This result suggests that the additional charge imparted via aerosolization fills the trapped states, therefore no rise is seen upon exposure to H₂. Dosing the TiO₂ aerosols with CO showed no adsorption of CO on the surface, even at lower temperatures (~100 K), indicating the additional charge on the aerosol surface prevents the CO molecules from adsorbing to the TiO₂ surface. The results observed during exposure suggest that the additional charge imparted via aerosolization impacts the interaction with each probe gas.

Keywords: aerosols, charge, reactivity, infrared

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Authors: S. B. Provost, Hossein Zareamoghaddam

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A univariate density approximation technique whereby the derivative of the logarithm of a density function is assumed to be expressible as a rational function is introduced. This approach which extends Pearson’s curve system is solely based on the moments of a distribution up to a determinable order. Upon solving a system of linear equations, the coefficients of the polynomial ratio can readily be identified. An explicit solution to the integral representation of the resulting density approximant is then obtained. It will be explained that when utilised in conjunction with sample moments, this methodology lends itself to the modelling of ‘big data’. Applications to sets of univariate and bivariate observations will be presented.

Keywords: density estimation, log-density, moments, Pearson's curve system

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Authors: H. Yazdani, K. Ghorbanian

Abstract:

This paper deals with modeling and simulation of the plasma actuator with OpenFOAM. Plasma actuator is one of the newest devices in flow control techniques which can delay separation by inducing external momentum to the boundary layer of the flow. The effects of the plasma actuators on the external flow are incorporated into Navier-Stokes computations as a body force vector which is obtained as a product of the net charge density and the electric field. In order to compute this body force vector, the model solves two equations: One for the electric field due to the applied AC voltage at the electrodes and the other for the charge density representing the ionized air. The simulation result is compared to the experimental and typical values which confirms the validity of the modeling.

Keywords: active flow control, flow-field, OpenFOAM, plasma actuator

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Authors: K. A. Adepoju, O. I. Shittu, A. U. Chukwu

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In this paper, a new four-parameter generalized version of the Fisher Snedecor distribution called Beta- F distribution is introduced. The comprehensive account of the statistical properties of the new distributions was considered. Formal expressions for the cumulative density function, moments, moment generating function and maximum likelihood estimation, as well as its Fisher information, were obtained. The flexibility of this distribution as well as its robustness using cancer remission time data was demonstrated. The new distribution can be used in most applications where the assumption underlying the use of other lifetime distributions is violated.

Keywords: fisher-snedecor distribution, beta-f distribution, outlier, maximum likelihood method

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