Search results for: variable charge
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2970

Search results for: variable charge

2940 Barrier Lowering in Contacts between Graphene and Semiconductor Materials

Authors: Zhipeng Dong, Jing Guo

Abstract:

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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2939 Validation of the Linear Trend Estimation Technique for Prediction of Average Water and Sewerage Charge Rate Prices in the Czech Republic

Authors: Aneta Oblouková, Eva Vítková

Abstract:

The article deals with the issue of water and sewerage charge rate prices in the Czech Republic. The research is specifically focused on the analysis of the development of the average prices of water and sewerage charge rate in the Czech Republic in the years 1994-2021 and on the validation of the chosen methodology relevant for the prediction of the development of the average prices of water and sewerage charge rate in the Czech Republic. The research is based on data collection. The data for this research was obtained from the Czech Statistical Office. The aim of the paper is to validate the relevance of the mathematical linear trend estimate technique for the calculation of the predicted average prices of water and sewerage charge rates. The real values of the average prices of water and sewerage charge rates in the Czech Republic in the years 1994-2018 were obtained from the Czech Statistical Office and were converted into a mathematical equation. The same type of real data was obtained from the Czech Statistical Office for the years 2019-2021. Prediction of the average prices of water and sewerage charge rates in the Czech Republic in the years 2019-2021 were also calculated using a chosen method -a linear trend estimation technique. The values obtained from the Czech Statistical Office and the values calculated using the chosen methodology were subsequently compared. The research result is a validation of the chosen mathematical technique to be a suitable technique for this research.

Keywords: Czech Republic, linear trend estimation, price prediction, water and sewerage charge rate

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2938 Enhancing the Efficiency of Organic Solar Cells Using Metallic Nanoparticles

Authors: Sankara Rao Gollu, Ramakant Sharma, G. Srinivas, Souvik Kundu, Dipti Gupta

Abstract:

In recent years, bulk heterojunction organic solar cells (BHJ OSCs) based on polymer–fullerene attracted a large research attention due to their numerous advantages such as light weight, easy processability, eco-friendly, low-cost, and capability for large area roll-to-roll manufacturing. BHJ OSCs usually suffer from insufficient light absorption due to restriction on keeping thin ( < 150 nm) photoactive layer because of small exciton diffusion length ( ~ 10 nm) and low charge carrier mobilities. It is thus highly desirable that light absorption as well as charge transport properties are enhanced by alternative methods so as to improve the device efficiency. In this work, therefore, we have focused on the strategy of incorporating metallic nanostructures in the active layer or charge transport layer to enhance the absorption and improve the charge transport.

Keywords: organic solar cell, efficiency, bulk heterojunction, polymer-fullerene

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2937 Ab-Initio Study of Native Defects in SnO Under Strain

Authors: A. Albar, D. B. Granato, U. Schwingenschlogl

Abstract:

Tin monoxide (SnO) has promising properties to be applied as a p-type semiconductor in transparent electronics. To this end, it is necessary to understand the behavior of defects in order to control them. We use density functional theory to study native defects of SnO under tensile and compressive strain. We show that Sn vacancies are more stable under tension and less stable under compression, irrespectively of the charge state. In contrast, O vacancies behave differently for different charge. It turns out that the most stable defect under compression is the +1 charged O vacancy in a Sn-rich environment and the charge neutral O interstitial in an O-rich environment. Therefore, compression can be used to transform SnO from an n-type into un-doped semiconductor.

Keywords: native defects, ab-initio, point defect, tension, compression, semiconductor

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2936 Influence of Raw Material Composition on Microstructure and Mechanical Properties of Nodular Cast Iron

Authors: Alan Vaško, Juraj Belan, Lenka Hurtalová, Eva Tillová

Abstract:

The aim of this study is to evaluate the influence of raw material composition on the microstructure, mechanical and fatigue properties and micromechanisms of failure of nodular cast iron. In order to evaluate the influence of charge composition, the structural analysis, mechanical and fatigue tests and micro fractographic analysis were carried out on specimens of ten melts with different charge compositions. The basic charge of individual melts was formed by a different ratio of pig iron and steel scrap and by different additive for regulation of chemical composition (silicon carbide or ferrosilicon). The results show differences in mechanical and fatigue properties, which are connected with the microstructure. SiC additive positively influences microstructure. Consequently, mechanical and fatigue properties of nodular cast iron are improved, especially in the melts with the higher ratio of steel scrap in the charge.

Keywords: nodular cast iron, silicon carbide, microstructure, mechanical properties

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2935 Modeling SET Effect on Charge Pump Phase Locked Loop

Authors: Varsha Prasad, S. Sandya

Abstract:

Cosmic Ray effects in microelectronics such as single event effect (SET) and total dose ionization (TID) have been of major concern in space electronics since 1970. Advanced CMOS technologies have demonstrated reduced sensitivity to TID effect. However, charge pump Phase Locked Loop is very much vulnerable to single event transient effect. This paper presents an SET analysis model, where the SET is modeled as a double exponential pulse. The time domain analysis reveals that the settling time of the voltage controlled oscillator (VCO) depends on the SET pulse strength, setting the time constant and the damping factor. The analysis of the proposed SET analysis model is confirmed by the simulation results.

Keywords: charge pump, phase locked loop, SET, VCO

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2934 Structural, Magnetic, Electrical and Dielectric Properties of Pr0.8Na0.2MnO3 Manganite

Authors: H. Ben Khlifa, W. Cheikhrouhou, R. M'nassri

Abstract:

The Orthorhombic Pr0.8Na0.2MnO3 ceramic was prepared in Polycrystalline form by a Pechini sol–gel method and its structural, magnetic, electrical, and dielectric properties were investigated experimentally. A structural study confirms that the sample is a single phase. Magnetic measurements show that the sample is a charge ordered Manganite. The sample undergoes two successive magnetic phase transitions with the variation of temperature: a charge ordering transition occurred at TCO = 212 K followed by a Paramagnetic (PM) to ferromagnetic (FM) transition around TC = 115 K. From an electrical point of view, a saturation region was marked in the conductivity as a function of Temperature s(T) curves at a specific temperature. The dc-conductivity (sdc) reaches a maximum value at 240 K. The obtained results are in good agreement with the temperature dependence of the average normalized change (ANC). We found that the conduction mechanism was governed by small polaron hopping (SPH) in the high-temperature region and by variable range hopping (VRH) in the low-temperature region. Complex impedance analysis indicates the presence of a non-Debye relaxation phenomenon in the system. Also, the compound was modeled by an electrical equivalent circuit. Then, the contribution of the grain boundary in the transport properties was confirmed.

Keywords: manganites, preparation methods, magnetization, magnetocaloric effect, electrical and dielectric

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2933 Efficient Variable Modulation Scheme Based on Codebook in the MIMO-OFDM System

Authors: Yong-Jun Kim, Jae-Hyun Ro, Chang-Bin Ha, Hyoung-Kyu Song

Abstract:

Because current wireless communication requires high reliability in a limited bandwidth environment, this paper proposes the variable modulation scheme based on the codebook. The variable modulation scheme adjusts transmission power using the codebook in accordance with hannel state. Also, if the codebook is composed of many bits, the reliability is more improved by the proposed scheme. The simulation results show that the performance of proposed scheme has better reliability than the the performance of conventional scheme.

Keywords: MIMO-OFDM, variable modulation, codebook, channel state

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2932 Characterization of a LiFeOP₄ Battery Cell with Mechanical Responses

Authors: Ki-Yong Oh, Eunji Kwak, Due Su Son, Siheon Jung

Abstract:

A pouch type of 10 Ah LiFePO₄ battery cell is characterized with two mechanical responses: swelling and bulk force. Both responses vary upon the state of charge significantly, whereas voltage shows flat responses, suggesting that mechanical responses can become a sensitive gauge to characterize microstructure transformation of a battery cell. The derivative of swelling s with respect to capacity Q, (ds/dQ) and the derivative of force F with respect to capacity Q, (dF/dQ) more clearly identify phase transitions of cathode and anode electrodes in the overall charge process than the derivative of voltage V with respect to capacity Q, (dV/dQ). Especially, the force versus swelling curves over the state of charge clearly elucidates three different stiffness over the state of charge oriented from phase transitions: the α-phase, the β-phase, and the metastable solid-solution phase. The observation from mechanical responses suggests that macro-scale mechanical responses of a battery cell are directly correlated to microscopic transformation of a battery cell.

Keywords: force response, LiFePO₄ battery, strain response, stress response, swelling response

Procedia PDF Downloads 143
2931 A Variable Stiffness Approach to Vibration Control

Authors: S. A. Alotaibi, M. A. Al-Ajmi

Abstract:

This work introduces a new concept for controlling the mechanical vibrations via variable stiffness coil spring. The concept relies on fitting a screw though the spring to change the number of active spring coils. A prototype has been built and tested with promising results toward an innovation in the field of vibration control.

Keywords: variable stiffness, coil spring, vibration control, computer science

Procedia PDF Downloads 377
2930 Dynamic Analysis of Composite Doubly Curved Panels with Variable Thickness

Authors: I. Algul, G. Akgun, H. Kurtaran

Abstract:

Dynamic analysis of composite doubly curved panels with variable thickness subjected to different pulse types using Generalized Differential Quadrature method (GDQ) is presented in this study. Panels with variable thickness are used in the construction of aerospace and marine industry. Giving variable thickness to panels can allow the designer to get optimum structural efficiency. For this reason, estimating the response of variable thickness panels is very important to design more reliable structures under dynamic loads. Dynamic equations for composite panels with variable thickness are obtained using virtual work principle. Partial derivatives in the equation of motion are expressed with GDQ and Newmark average acceleration scheme is used for temporal discretization. Several examples are used to highlight the effectiveness of the proposed method. Results are compared with finite element method. Effects of taper ratios, boundary conditions and loading type on the response of composite panel are investigated.

Keywords: differential quadrature method, doubly curved panels, laminated composite materials, small displacement

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2929 System Response of a Variable-Rate Aerial Application System

Authors: Daniel E. Martin, Chenghai Yang

Abstract:

Variable-rate aerial application systems are becoming more readily available; however, aerial applicators typically only use the systems for constant-rate application of materials, allowing the systems to compensate for upwind and downwind ground speed variations. Much of the resistance to variable-rate aerial application system adoption in the U.S. pertains to applicator’s trust in the systems to turn on and off automatically as desired. The objectives of this study were to evaluate a commercially available variable-rate aerial application system under field conditions to demonstrate both the response and accuracy of the system to desired application rate inputs. This study involved planting oats in a 35-acre fallow field during the winter months to establish a uniform green backdrop in early spring. A binary (on/off) prescription application map was generated and a variable-rate aerial application of glyphosate was made to the field. Airborne multispectral imagery taken before and two weeks after the application documented actual field deposition and efficacy of the glyphosate. When compared to the prescription application map, these data provided application system response and accuracy information. The results of this study will be useful for quantifying and documenting the response and accuracy of a commercially available variable-rate aerial application system so that aerial applicators can be more confident in their capabilities and the use of these systems can increase, taking advantage of all that aerial variable-rate technologies have to offer.

Keywords: variable-rate, aerial application, remote sensing, precision application

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2928 Electron Density Analysis and Nonlinear Optical Properties of Zwitterionic Compound

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

Abstract:

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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2927 Uniaxial Alignment and Ion Exchange Doping to Enhance the Thermoelectric Properties of Organic Polymers

Authors: Wenjin Zhu, Ian E. Jacobs, Henning Sirringhaus

Abstract:

This project delves into the efficiency of uniaxial alignment and ion exchange doping as methods to optimize the thermoelectric properties of organic polymers. The anisotropic nature of charge transport in conjugated polymers is capitalized upon through the uniaxial alignment of polymer backbones, ensuring charge transport is streamlined along these backbones. Ion exchange doping has demonstrated superiority over traditional molecular and electrochemical doping methods, amplifying charge carrier densities. By integrating these two techniques, we've observed marked improvements in the thermoelectric attributes of specific conjugated polymers such as PBTTT and DPP based polymers. We demonstrate respectable power factors of 172.6 μW m⁻¹ K⁻² in PBTTT system and 41.7 μW m⁻¹ K⁻² in DPP system.

Keywords: organic electronics, thermoelectrics, uniaxial alignment, ion exchange doping

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2926 Nonequilibrium Effects in Photoinduced Ultrafast Charge Transfer Reactions

Authors: Valentina A. Mikhailova, Serguei V. Feskov, Anatoly I. Ivanov

Abstract:

In the last decade the nonequilibrium charge transfer have attracted considerable interest from the scientific community. Examples of such processes are the charge recombination in excited donor-acceptor complexes and the intramolecular electron transfer from the second excited electronic state. In these reactions the charge transfer proceeds predominantly in the nonequilibrium mode. In the excited donor-acceptor complexes the nuclear nonequilibrium is created by the pump pulse. The intramolecular electron transfer from the second excited electronic state is an example where the nuclear nonequilibrium is created by the forward electron transfer. The kinetics of these nonequilibrium reactions demonstrate a number of peculiar properties. Most important from them are: (i) the absence of the Marcus normal region in the free energy gap law for the charge recombination in excited donor-acceptor complexes, (ii) extremely low quantum yield of thermalized charge separated state in the ultrafast charge transfer from the second excited state, (iii) the nonexponential charge recombination dynamics in excited donor-acceptor complexes, (iv) the dependence of the charge transfer rate constant on the excitation pulse frequency. This report shows that most of these kinetic features can be well reproduced in the framework of stochastic point-transition multichannel model. The model involves an explicit description of the nonequilibrium excited state formation by the pump pulse and accounts for the reorganization of intramolecular high-frequency vibrational modes, for their relaxation as well as for the solvent relaxation. The model is able to quantitatively reproduce complex nonequilibrium charge transfer kinetics observed in modern experiments. The interpretation of the nonequilibrium effects from a unified point of view in the terms of the multichannel point transition stochastic model allows to see similarities and differences of electron transfer mechanism in various molecular donor-acceptor systems and formulates general regularities inherent in these phenomena. The nonequilibrium effects in photoinduced ultrafast charge transfer which have been studied for the last 10 years are analyzed. The methods of suppression of the ultrafast charge recombination, similarities and dissimilarities of electron transfer mechanism in different molecular donor-acceptor systems are discussed. The extremely low quantum yield of the thermalized charge separated state observed in the ultrafast charge transfer from the second excited state in the complex consisting of 1,2,4-trimethoxybenzene and tetracyanoethylene in acetonitrile solution directly demonstrates that its effectiveness can be close to unity. This experimental finding supports the idea that the nonequilibrium charge recombination in the excited donor-acceptor complexes can be also very effective so that the part of thermalized complexes is negligible. It is discussed the regularities inherent to the equilibrium and nonequilibrium reactions. Their fundamental differences are analyzed. Namely the opposite dependencies of the charge transfer rates on the dynamical properties of the solvent. The increase of the solvent viscosity results in decreasing the thermal rate and vice versa increasing the nonequilibrium rate. The dependencies of the rates on the solvent reorganization energy and the free energy gap also can considerably differ. This work was supported by the Russian Science Foundation (Grant No. 16-13-10122).

Keywords: Charge recombination, higher excited states, free energy gap law, nonequilibrium

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2925 Combined Influence of Charge Carrier Density and Temperature on Open-Circuit Voltage in Bulk Heterojunction Organic Solar Cells

Authors: Douglas Yeboah, Monishka Narayan, Jai Singh

Abstract:

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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2924 TiN/TiO2 Nanostructure Coating on Glass Substrate

Authors: F. Dabir, R. Sarraf-Mamoory, N. Riahi-Noori

Abstract:

In this work, a nanostructured TiO2 layer was coated onto a FTO-less glass substrate using screen printing technique for back contact DSSC application. Then, titanium nitride thin film was applied on TiO2 layer by plasma assisted chemical vapor deposition (PACVD) as charge collector layer. The microstructure of prepared TiO2 layer was characterized by SEM. The sheet resistance, microstructure and elemental composition of titanium nitride thin films were analysed by four point probe, SEM, and EDS, respectively. TiO2 layer had porous nanostructure. The EDS analysis of TiN thin film showed presence of chlorine impurity. Sheet resistance of TiN thin film was 30 Ω/sq. With respect to the results, PACVD TiN can be a good candidate as a charge collector layer in back contacts DSSC.

Keywords: TiO2, TiN, charge collector, DSSC

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2923 Literature Review of Empirical Studies on the Psychological Processes of End-of-Life Cancer Patients

Authors: Kimiyo Shimomai, Mihoko Harada

Abstract:

This study is a literature review of the psychological reactions that occur in end-of-life cancer patients who are nearing death. It searched electronic databases and selected literature related to psychological studies of end-of-life patients. There was no limit on the search period, and the search was conducted until the second week of December 2021. The keywords were specified as “death and dying”, “terminal illness”, “end-of-life”, “palliative care”, “psycho-oncology” and “research”. These literatures referred to Holly (2017): Comprehensive Systematic Review for Advanced Practice Nursing, P268 Figure 10.3 to ensure quality. These literatures were selected with a dissertation score of 4 or 5. The review was conducted in two stages with reference to the procedure of George (2002). First, these references were searched for keywords in the database, and then relevant references were selected from the psychology and nursing studies of end-of-life patients. The number of literatures analyzed was 76 for overseas and 17 for domestic. As for the independent variables, "physical variable" was the most common in 36 literatures (66.7%), followed by "psychological variable" in 35 literatures (64.8%), "spiritual variable" in 21 literatures (38%), and "social variable" in 17 literatures. (31.5%), "Variables related to medical care / treatment" were 16 literatures (29.6%). To summarize the relationship between these independent variables and the dependent variable, when the dependent variable is "psychological variable", the independent variables are "psychological variable", "social variable", and "physical variable". Among the independent variables, the physical variables were the most common. The psychological responses that occur in end-stage cancer patients who are nearing death are mutually influenced by psychological, social, and physical variables. Therefore, it supported the "total pain" advocated by Cicely Saunders.

Keywords: cancer patient, end-of-life, literature review, psychological process

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2922 Bayesian Variable Selection in Quantile Regression with Application to the Health and Retirement Study

Authors: Priya Kedia, Kiranmoy Das

Abstract:

There is a rich literature on variable selection in regression setting. However, most of these methods assume normality for the response variable under consideration for implementing the methodology and establishing the statistical properties of the estimates. In many real applications, the distribution for the response variable may be non-Gaussian, and one might be interested in finding the best subset of covariates at some predetermined quantile level. We develop dynamic Bayesian approach for variable selection in quantile regression framework. We use a zero-inflated mixture prior for the regression coefficients, and consider the asymmetric Laplace distribution for the response variable for modeling different quantiles of its distribution. An efficient Gibbs sampler is developed for our computation. Our proposed approach is assessed through extensive simulation studies, and real application of the proposed approach is also illustrated. We consider the data from health and retirement study conducted by the University of Michigan, and select the important predictors when the outcome of interest is out-of-pocket medical cost, which is considered as an important measure for financial risk. Our analysis finds important predictors at different quantiles of the outcome, and thus enhance our understanding on the effects of different predictors on the out-of-pocket medical cost.

Keywords: variable selection, quantile regression, Gibbs sampler, asymmetric Laplace distribution

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2921 Effect of Variable Fluxes on Optimal Flux Distribution in a Metabolic Network

Authors: Ehsan Motamedian

Abstract:

Finding all optimal flux distributions of a metabolic model is an important challenge in systems biology. In this paper, a new algorithm is introduced to identify all alternate optimal solutions of a large scale metabolic network. The algorithm reduces the model to decrease computations for finding optimal solutions. The algorithm was implemented on the Escherichia coli metabolic model to find all optimal solutions for lactate and acetate production. There were more optimal flux distributions when acetate production was optimized. The model was reduced from 1076 to 80 variable fluxes for lactate while it was reduced to 91 variable fluxes for acetate. These 11 more variable fluxes resulted in about three times more optimal flux distributions. Variable fluxes were from 12 various metabolic pathways and most of them belonged to nucleotide salvage and extra cellular transport pathways.

Keywords: flux variability, metabolic network, mixed-integer linear programming, multiple optimal solutions

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2920 Charge Carrier Mobility Dependent Open-Circuit Voltage in Organic and Hybrid Solar Cells

Authors: David Ompong, Jai Singh

Abstract:

A better understanding of the open-circuit voltage (Voc) related losses in organic solar cells (OSCs) is desirable in order to assess the photovoltaic performance of these devices. We have derived Voc as a function of charge carrier mobilities (μe and μh) for organic and hybrid solar cells by optimizing the drift-diffusion current density. The optimum Voc thus obtained depends on the energy difference between the highest occupied molecular orbital (HOMO) level and the quasi-Fermi level of holes of the donor material. We have found that the Voc depends on the ratio of the electron (μe) and hole (μh) mobilities and when μh > μe the Voc increases. The most important loss term in the Voc arises from the energetics of the donor and acceptor materials, which will be discussed in detail in this paper.

Keywords: charge carrier mobility, open-circuit voltage, organic solar cells, quasi-fermi levels

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2919 Synthesis and Spectrophotometric Study of Omeprazole Charge Transfer Complexes with Bromothymol Blue, Methyl Orange, and Picric Acid

Authors: Saeeda Nadir Ali, Najma Sultana, Muhammad Saeed Arayne

Abstract:

Charge transfer complexes of omeprazole with bromothymol blue, methyl orange, and picric acid in the Beer’s law ranges 7-56, 6-48, and 10-80 µg mL-1, exhibiting stoichiometric ratio 1:1, and maximum wavelength 400, 420 and 373 nm respectively have been studied in aqueous medium. ICH guidelines were followed for validation study. Spectroscopic parameters including oscillator’s strength, dipole moment, ionization potential, energy of complexes, resonance energy, association constant and Gibb’s free energy changes have also been investigated and Benesi-Hildebrand plot in each case has been obtained. In addition, the methods were fruitfully employed for omeprazole determination in pharmaceutical formulations with no excipients obstruction during analysis. Solid omeprazole complexes with all the acceptors were synthesized and then structure was elucidated by IR and 1H NMR spectroscopy.

Keywords: omeprazole, bromothymol blue, methyl orange and picric acid, charge transfer complexes

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2918 Design, Spectroscopic, Structural Characterization, and Biological Studies for New Complexes via Charge Transfer Interaction of Ciprofloxacin Drug With π Acceptors

Authors: Khaled Alshammari

Abstract:

Ciprofloxacin (CIP) is a common antibiotic drug used as a strudy electron donor that interacts with dynamic π -acceptors such as 2,3-dinitrosalsylic acid (HDNS) and Tetracyanoethylene (TCNE) for synthesizing a new model of charge transfer (CT) complexes. The synthesized complexes were identified using diverse analytical methods such as UV–vis spectra, photometric titration measurements, FT-IR, HNMR Spectroscopy, and thermogravimetric analysis techniques (TGA/DTA). The stoichiometries for all the formed complexes were found to be a 1:1 M ratio between the reactants. The characteristic spectroscopic properties such as transition dipole moment (µ), oscillator strength (f), formation constant (KCT), ionization potential (ID), standard free energy (∆G), and energy of interaction (ECT) for the CT-complexes were collected. The developed CT complexes were tested for their toxicity on main organs, antimicrobial activity, antioxidant activity, and biofilm formation.

Keywords: biological, biofilm, toxicity, thermal analysis, charge transfer, spectroscopy

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2917 Excitation Density and Energy Dependent Relaxation Dynamics of Charge Carriers in Large Area 2D TMDCs

Authors: Ashish Soni, Suman Kalyan Pal

Abstract:

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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2916 Behavior of Epoxy Insulator with Surface Defect under HVDC Stress

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

Abstract:

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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2915 Deepnic, A Method to Transform Each Variable into Image for Deep Learning

Authors: Nguyen J. M., Lucas G., Brunner M., Ruan S., Antonioli D.

Abstract:

Deep learning based on convolutional neural networks (CNN) is a very powerful technique for classifying information from an image. We propose a new method, DeepNic, to transform each variable of a tabular dataset into an image where each pixel represents a set of conditions that allow the variable to make an error-free prediction. The contrast of each pixel is proportional to its prediction performance and the color of each pixel corresponds to a sub-family of NICs. NICs are probabilities that depend on the number of inputs to each neuron and the range of coefficients of the inputs. Each variable can therefore be expressed as a function of a matrix of 2 vectors corresponding to an image whose pixels express predictive capabilities. Our objective is to transform each variable of tabular data into images into an image that can be analysed by CNNs, unlike other methods which use all the variables to construct an image. We analyse the NIC information of each variable and express it as a function of the number of neurons and the range of coefficients used. The predictive value and the category of the NIC are expressed by the contrast and the color of the pixel. We have developed a pipeline to implement this technology and have successfully applied it to genomic expressions on an Affymetrix chip.

Keywords: tabular data, deep learning, perfect trees, NICS

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2914 Estimation of Missing Values in Aggregate Level Spatial Data

Authors: Amitha Puranik, V. S. Binu, Seena Biju

Abstract:

Missing data is a common problem in spatial analysis especially at the aggregate level. Missing can either occur in covariate or in response variable or in both in a given location. Many missing data techniques are available to estimate the missing data values but not all of these methods can be applied on spatial data since the data are autocorrelated. Hence there is a need to develop a method that estimates the missing values in both response variable and covariates in spatial data by taking account of the spatial autocorrelation. The present study aims to develop a model to estimate the missing data points at the aggregate level in spatial data by accounting for (a) Spatial autocorrelation of the response variable (b) Spatial autocorrelation of covariates and (c) Correlation between covariates and the response variable. Estimating the missing values of spatial data requires a model that explicitly account for the spatial autocorrelation. The proposed model not only accounts for spatial autocorrelation but also utilizes the correlation that exists between covariates, within covariates and between a response variable and covariates. The precise estimation of the missing data points in spatial data will result in an increased precision of the estimated effects of independent variables on the response variable in spatial regression analysis.

Keywords: spatial regression, missing data estimation, spatial autocorrelation, simulation analysis

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2913 An Approach towards Elementary Investigation on HCCI Technology

Authors: Jitendra Sharma

Abstract:

Here a Homogeneous Charge is used as in a spark-ignited engine, but the charge is compressed to auto ignition as in a diesel. The main difference compared with the Spark Ignition (SI) engine is the lack of flame propagation and hence the independence from turbulence. Compared with the diesel engine. HCCI has a homogeneous charge and have no problems associated with soot and Nox but HC and CO were higher than in SI mode. It was not possible to achieve high IMEP (Indicated Mean Effective Pressure) values with HCCI. The Homogeneous charge compression ignition (HCCI) is an attractive technology because of its high efficiency and low emissions. However, HCCI lakes a direct combustion trigger making control of combustion timing challenging, especially during transients. To aid in HCCI engine control we present a simple model of the HCCI combustion process valid over a range of intake pressures, intake temperatures, equivalence ratios and engine speeds. HCCI a new combustion technology that may develop as an alternative to diesel engines with high efficiency and low Knox and particulate matter emissions. The homogenous charge compression ignition (HCCI) is a promising new engine technology that combines elements of the diesel and gasoline engine operating cycles. HCCI as a way to increase the efficiency of the gasoline engine. The attractive properties are increased fuel efficiency due to reduced throttling losses, increased expansion ratio and higher thermodynamic efficiency. With the advantages there are some mechanical limitations to the operation of the HCCI engine. The implementation of homogenous charge compression ignition (HCCI) to gasoline engines is constrained by many factors. The main drawback of HCCI is the absence of direct combustion timing control. Therefore all the right conditions for auto ignition have to be set before combustion starts. This paper describes the past and current research done on HCCI engine. Many research got considerable success in doing detailed modeling of HCCI combustion. This paper aims at studying the fundamentals of HCCI combustion, the strategy to control the limitation of HCCI engine.

Keywords: HCCI, diesel engine, combustion, elementary investigation

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2912 Rd-PLS Regression: From the Analysis of Two Blocks of Variables to Path Modeling

Authors: E. Tchandao Mangamana, V. Cariou, E. Vigneau, R. Glele Kakai, E. M. Qannari

Abstract:

A new definition of a latent variable associated with a dataset makes it possible to propose variants of the PLS2 regression and the multi-block PLS (MB-PLS). We shall refer to these variants as Rd-PLS regression and Rd-MB-PLS respectively because they are inspired by both Redundancy analysis and PLS regression. Usually, a latent variable t associated with a dataset Z is defined as a linear combination of the variables of Z with the constraint that the length of the loading weights vector equals 1. Formally, t=Zw with ‖w‖=1. Denoting by Z' the transpose of Z, we define herein, a latent variable by t=ZZ’q with the constraint that the auxiliary variable q has a norm equal to 1. This new definition of a latent variable entails that, as previously, t is a linear combination of the variables in Z and, in addition, the loading vector w=Z’q is constrained to be a linear combination of the rows of Z. More importantly, t could be interpreted as a kind of projection of the auxiliary variable q onto the space generated by the variables in Z, since it is collinear to the first PLS1 component of q onto Z. Consider the situation in which we aim to predict a dataset Y from another dataset X. These two datasets relate to the same individuals and are assumed to be centered. Let us consider a latent variable u=YY’q to which we associate the variable t= XX’YY’q. Rd-PLS consists in seeking q (and therefore u and t) so that the covariance between t and u is maximum. The solution to this problem is straightforward and consists in setting q to the eigenvector of YY’XX’YY’ associated with the largest eigenvalue. For the determination of higher order components, we deflate X and Y with respect to the latent variable t. Extending Rd-PLS to the context of multi-block data is relatively easy. Starting from a latent variable u=YY’q, we consider its ‘projection’ on the space generated by the variables of each block Xk (k=1, ..., K) namely, tk= XkXk'YY’q. Thereafter, Rd-MB-PLS seeks q in order to maximize the average of the covariances of u with tk (k=1, ..., K). The solution to this problem is given by q, eigenvector of YY’XX’YY’, where X is the dataset obtained by horizontally merging datasets Xk (k=1, ..., K). For the determination of latent variables of order higher than 1, we use a deflation of Y and Xk with respect to the variable t= XX’YY’q. In the same vein, extending Rd-MB-PLS to the path modeling setting is straightforward. Methods are illustrated on the basis of case studies and performance of Rd-PLS and Rd-MB-PLS in terms of prediction is compared to that of PLS2 and MB-PLS.

Keywords: multiblock data analysis, partial least squares regression, path modeling, redundancy analysis

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2911 Thermal Fracture Analysis of Fibrous Composites with Variable Fiber Spacing Using Jk-Integral

Authors: Farid Saeidi, Serkan Dag

Abstract:

In this study, fracture analysis of a fibrous composite laminate with variable fiber spacing is carried out using Jk-integral method. The laminate is assumed to be under thermal loading. Jk-integral is formulated by using the constitutive relations of plane orthotropic thermoelasticity. Developed domain independent form of the Jk-integral is then integrated into the general purpose finite element analysis software ANSYS. Numerical results are generated so as to assess the influence of variable fiber spacing on mode I and II stress intensity factors, energy release rate, and T-stress. For verification, some of the results are compared to those obtained using displacement correlation technique (DCT).

Keywords: Jk-integral, Variable Fiber Spacing, Thermoelasticity, T-stress, Finite Element Method, Fibrous Composite.

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