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Search results for: electronic structure
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Photoelectron spectroscopy of a series of acetate and propionate esters
PublicationThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...
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Non-Gaussian Resistance Fluctuations in Gold-Nanoparticle-Based Gas Sensors: An Appraisal of Different Evaluation Techniques
PublicationVolatile organic compounds, such as formaldehyde, can be used as biomarkers in human exhaled breath in order to non-invasively detect various diseases, and the same compounds are of much interest also in the context of environmental monitoring and protection. Here, we report on a recently-developed gas sensor, based on surface-functionalized gold nanoparticles, which is able to generate voltage noise with a distinctly non-Gaussian...
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Study of oxygen electrode reactions on symmetrical porous SrTi0.30Fe0.70O3-δ electrodes on Ce0.8Gd0.2O1.9 electrolyte at 800 °C–500 °C
PublicationIron doped strontium titanates (SrTi1-xFexO3-δ) are an interesting mixed ionic-electronic conductor model used to study basic oxygen reduction/oxidation reactions. In this work, we performed an impedance spectroscopy study on symmetrical porous SrTi0.30Fe0.70O3-δ (STF70) electrodes on a ceriabased electrolyte. The sample was measured in varying oxygen concentration: from 0.3% to 100% in 800 °C - 500 °C temperature range. Low polarisation...
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Innovative Bidirectional Isolated High-Power Density On-Board Charge for Vehicle-to-Grid
PublicationThis paper deals with developing and implementing a bidirectional galvanically isolated on-board charger of a high-power density. The power density of the new charger was 4 kW/kg and 2.46 kW/dm3, and the maximum efficiency was 96.4% at 3.4 kW. Due to the requirement to achieve a high-power density, a single-stage inverter topology was used. Regarding switching losses, due to the topology of the circuit with so-called hard switching,...
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Application of infrared thermoography to non-contact testing of varistors
PublicationTesting of varistors using thermography was carried out in order to assess their protective properties against possible overvoltage phenomena in the form of high-level voltage surges. An advantage of the thermography technique is non-contact temperature measurement. It was proposed to assess the properties of varistors workingin electronic devices as protective elements, on the basis of estimating temperature increments on varist...
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Smart Virtual Bass Synthesis Algorithm Based on Music Genre Classification
PublicationThe aim of this paper is to present a novel approach to the Virtual Bass Synthesis (VBS) algorithms applied to portable computers. The proposed algorithm employed automatic music genre recognition to determine the optimum parameters for the synthesis of additional frequencies. The synthesis was carried out using the non-linear device (NLD) and phase vocoder (PV) methods depending on the music excerpt genre. Classification of musical...
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MICROCOMPASS FOR SAFE SEA NAVIGATION
PublicationThis paper presents the results of design microcompass for safe sea navigation where navigation, electronic, programming knowledge was joined to make more safe sea navigation. In first part of article presents navigation tools which using in practise. Article underlines that mostly satellite system is used to make navigation, but recommends traditional navigation method like alternative to determinate position in case of breakdown...
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COMPARISON OF SYSTEM ON CHIP TECHNOLOGIES FOR SPACE APPLICATIONS
PublicationThe paper presents a review of technologies available for the implementation of digital and mixed signal systems, particularly the system on a chip (SoC) for space applications. The phenomena encountered in the space environment are briefly presented, together with the known solutions, regarding the design of complex electronic systems. The most important norms regarding single die integrated circuits designed for space are also...
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Unusual behaviour of (Np,Pu)B2C
PublicationTwo transuranium metal boron carbides, NpB2C and PuB2C have been synthesized by argon arc melting. The crystal structures of the {Np,Pu}B2C compounds were determined from single-crystal X-ray data to be isotypic with the ThB2C-type (space group R3m, a = 0.6532(2) nm; c = 1.0769(3) nm for NpB2C and a = 0.6509(2) nm; c = 1.0818(3) nm for PuB2C; Z = 9). Physical properties have been derived from polycrystalline bulk material in the...
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Broken rotor bar impact on sensorless control of induction machine
PublicationThe aim of the research is analysis of the sensorless control system of induction machine with broken rotor for diagnostic purposes. Increasing popularity of sensorless controlled variable speed drives requires research in area of reliability, range of stable operation, fault symptoms and application of diagnosis methods. T transformation (Cunha et al.,2003) used for conversion of instantaneous rotor currents electrical circuit...
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Rapid tolerance‐aware design of miniaturized microwave passives by means of confined‐domain surrogates
PublicationThe effects of uncertainties, primarily manufacturing tolerances but also incomplete information about operating conditions or material parameters, can be detrimental to the performance of microwave components. Quantification of such effects is essential to ensure a meaningful evaluation of the structure, in particular, its reliability under imperfect fabrication procedures. The improvement of the circuit robustness can be achieved...
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Behavior of residual current devices at frequencies up to 50 kHz
PublicationThe use of residual current devices (RCDs) is obligatory in many types of low-voltage circuits. They are devices that ensure protection against electric shock in the case of indirect contact and may ensure additional protection in the case of direct contact. For the latter purpose of protection, only RCDs of a rated residual operating current not exceeding 30 mA are suitable. Unfortunately, modem current-using equipment supplied...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublicationIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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Influence of the fragment size on the recycling process of thin-film modules based on CdTe
PublicationFor several years, the production of second generation cells (the so-called thin film), produced from amorphous silicon, cadmium telluride (CdTe) or copper indium (gallium) diselenide (CI(G)S), has been increasing. The total number of end-of-life panels by 2050 is expected to reach 9.57 million tonnes. They contain heavy metals that can be leached into the environment at the land field. The EU directive on waste electrical and...
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Multiple Reprocessing of Conductive PLA 3D-Printing Filament: Rheology, Morphology, Thermal and Electrochemical Properties Assessment
PublicationAdditive manufacturing technologies are gaining more and more attention, resulting in the development or modification of 3D printing techniques and dedicated materials. On the other hand, economic and ecological aspects force the industry to develop material recycling strategies. In this work, the multiple reprocessing of a commercially available PLA conductive composite with carbon black filler, dedicated to 3D printing, was investigated....
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Smart sustainable cities : Reconnaissance Study
PublicationThe global urban population is expected to grow by 63 percent between 2014 and 2050 – compared to an overall global population growth of 32 percent during the same period. Megacities with over 20-million inhabitants will see the fastest increase in population – and at least 13 new megacities are expected by 2030, in addition to the 28 existing today. The fastest growing urban centres contain around one-million inhabitants, and...
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Zaufanie do marek jako mediator pomiędzy postrzeganym ryzykiem i skłonnością do elektronicznego word-of-mouth
PublicationRozwój Internetu oraz dostęp konsumentów do mediów społecznościowych wpływają na ich zaangażowanie on-line. Odzwierciedla to również sposób, w jaki konsumenci wyrażają opinie o markach i produktach w Sieci. Celem ankiety było zbadanie wpływu postrzeganego ryzyka i zaufania do marki na skłonność konsumentów do electronic word-of-mouth (eWOM). Ponadto, autorzy zbadali rolę zaufania do marki jako mediatora w relacji między postrzeganym...
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Towards Contactless, Hand Gestures-Based Control of Devices
PublicationGesture-based intuitive interactions with electronic devices can be an important part of smart home systems. In this paper, we adapt the contactless linear gesture sensor for the navigation of smart lighting system. Set of handled gestures allow to propose two methods of active light source selection, continuous dimming, and turning on and off based on discrete gestures. The average gesture recognition accuracy was 97.58% in the...
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Bioelectronic tongue: Current status and perspectives
PublicationIn the course of evolution, nature has endowed humans with systems for the recognition of a wide range of tastes with a sensitivity and selectivity which are indispensable for the evaluation of edibility and flavour attributes. Inspiration by a biological sense of taste has become a basis for the design of instruments, operation principles and parameters enabling to mimic the unique properties of their biological precursors. In...
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Testing sensitivity of A-type residual current devices to earth fault currents with harmonics
PublicationIn many applications, modern current-using equipment utilizes power electronic converters to control the consumed power and to adjust the motor speed. Such equipment is used both in industrial and domestic installations. A characteristic feature of the converters is producing distorted earth fault currents, which contain a wide spectrum of harmonics, including high-order harmonics. Nowadays, protection against electric shock in...
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Influence of electric, magnetic and electromagnetic fields on the circadian system – current stage of knowledge
PublicationOne of the side effects of each electrical device work is the electromagnetic field generated near its workplace. All organisms, including humans, are exposed daily to the influence of different types of this field, characterized by various physical parameters. Therefore, it is important to accurately determine the effects of an electromagnetic field on the physiological and pathological processes occurring in cells, tissues and...
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A calibration model for gas sensor array in varying environmental conditions
PublicationAbstract: Gas-analyzing systems based on gas sensors, commonly referred to as electronic noses, are the systems which enable the recognition of volatile compounds in their working environment and provide the on-line results of analysis. The most commonly used type of sensors in such systems is semiconductor gas sensors. They are considered to be the most reliable in the long-term applications (more than 1 year), however,...
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Diagnostyka uszkodzeń analogowych układów elektronicznych z zastosowaniem specjalizowanej sieci neuronowej
PublicationNa tle trendów rozwojowych diagnostyki analogowych układów elektronicznych AEC (Analog Electronic Circuits), przedstawiono nową metodę diagnostyki uszkodzeń parametrycznych układów analogowych, ze specjalizowanym klasyfikatorem neuronowym, o zwiększonej odporności na tolerancje elementów układu i niepewności pomiaru. Zastosowano specjalizowaną sieć neuronową z dwucentrowymi funkcjami bazowymi TCRBF (Two-center Radial Basis Function),...
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A calibration model for gas sensor array in varying environmental conditions
PublicationAbstract: Gas-analyzing systems based on gas sensors, commonly referred to as electronic noses, are the systems which enable the recognition of volatile compounds in their working environment and provide the on-line results of analysis. The most commonly used type of sensors in such systems is semiconductor gas sensors. They are considered to be the most reliable in the long-term applications (more than 1 year), however,...
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Modification of Titanium (IV) Dioxide with Small Silver Nanoparticles: Application in Photocatalysis
PublicationThe surface of commercial TiO2 compounds (P25 and ST01) has been modified with Ag nanoparticles induced by radiolysis. On P25, the Ag nanoclusters are very small (1−2 nm) and homogeneous in size while on ST01, two populations of nanoparticles are obtained, small nanoparticles (1−2 nm) and larger ones (mean diameter 7 to 12 nm depending on the silver loading). The photocatalytic properties of Ag-modified TiO2 have been studied for...
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Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance
PublicationWe investigate the methanol absorption spectrum in the range 5.5–10.8 eV to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol electronic-state spectroscopy by employing high-resolution vacuum ultraviolet (VUV) photoabsorption measurements together with state-of-the-art quantum chemical calculation methods. The VUV spectrum reveals several new features...
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Shape-Memory Polyurethane Polymers
PublicationPolyurethanes (PUs) are one of the most widely used polymers in research and industry. They can be synthesized from chemical sources and natural sources. PUs are a very useful class of polymers and exhibit many desirable properties that can be exploited in various applications. PUs are formed by the reaction between polyols and isocyanates. A wide variety of polyols and isocyanates are available for synthesis, and hence we can...
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublicationSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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Bio-inspired approaches for explosives detection
PublicationDue to unique abilities of the animals regarding analysis of complex gas substances, they still remain a gold standard in analysis of explosives. Unusual capabilities of biological chemosensory systems, including both vertebrates and invertebrates, stimulate elaboration of the devices mimicking their activity and operation parameters as precisely as possible. The electronic analogues are a subject of investigation in many research...
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The potential of LC–MS technique in direct analysis of perfume content
PublicationPerfumes are products that consist of a wide range of natural and synthetic compounds. Due to complex composition, the determination of their ingredients is a difficult task. Most of the perfume components are either volatile or semi-volatile; however, most of the attention has been paid to volatile ones, and thus, gas chromatography or electronic noses are generally used. Nevertheless, in this study, liquid chromatography coupled...
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Assembly of 1D Granular Structures from Sulfonated Polystyrene Microparticles
PublicationBeing able to systematically modify the electric properties of nano- and microparticles opens up new possibilities for the bottom-up fabrication of advanced materials such as the fabrication of one-dimensional (1D) colloidal and granular materials. Fabricating 1D structures from individual particles offers plenty of applications ranging from electronic sensors and photovoltaics to artificial flagella for hydrodynamic propulsion....
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Optical Sensor Based Gestures Inference Using Recurrent Neural Network in Mobile Conditions
PublicationIn this paper the implementation of recurrent neural network models for hand gesture recognition on edge devices was performed. The models were trained with 27 hand gestures recorded with the use of a linear optical sensor consisting of 8 photodiodes and 4 LEDs. Different models, trained off-line, were tested in terms of different network topologies (different number of neurons and layers) and different effective sampling frequency...
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Sano-Tachiya-Noolandi-Hong, Onsager and Braun models vs Monte Carlo simulation of charge photogeneration in organic solids
PublicationThe Sano-Tachiya-Noolandi-Hong (STNH), Onsager, and Braun models as well as Monte Carlo (MC) simulations of charge recombination/separation have been applied for the first time to reproduce the results of the electromodulated photoluminescence measurements in vacuum-evaporated films of fluorescent materials commonly used in optoelectronic devices. The values of the electron-hole pair final recombination speed in the monomer emitters:...
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Autistic Employees’ Technology-Based Workplace Accommodation Preferences Survey—Preliminary Findings
PublicationBackground: There has been an increase in the number of research studies focused on the design of accommodations aimed at improving the well-being and work performance of autistic employees. These accommodations took various forms; some of them were based on modification of management practices, for example, support in the area of effective communication, or involved modifications to the physical working environment aimed at limiting...
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Forewarned Is Forearmed: Machine Learning Algorithms for the Prediction of Catheter-Induced Coronary and Aortic Injuries
PublicationCatheter-induced dissections (CID) of coronary arteries and/or the aorta are among the most dangerous complications of percutaneous coronary procedures, yet the data on their risk factors are anecdotal. Logistic regression and five more advanced machine learning techniques were applied to determine the most significant predictors of dissection. Model performance comparison and feature importance ranking were evaluated. We identified...
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Shape Memory Alloy-Based Fluidically Reconfigurable Metasurfaced Beam Steering Antenna
PublicationA low-cost actuator-based fluidically programmable metasurface (FPMS) antenna is proposed to solve the slow tuning speed problem of the manually fluidic based reconfigurable antennas. The FPMS-based antenna is probe-fed and comprises a 4 × 4 square ring metasurface as a superstrate. Moreover, two shape memory alloy (SMA)-based electrically-controlled actuators are employed in the design for controlling the position of the 3D-printed...
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Characterization of glucoamylase immobilized on magnetic nanoparticles
PublicationMagnetic support was prepared by precipitation from an alkaline solution of divalent and trivalent iron ions and subsequently was modified with 3-aminopropyltriethoxysilane. FTIR analysis showed existence of a new Si-O-Fe bond in obtained particles. Scanning electronic microscopy images shows that the nanoparticles of all samples have particle size below 30 nm. Glucoamylase AMG 300L was immobilized onto the modified magnetic support...
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CURRENT TRENDS IN RECYCLING OF PHOTOVOLTAIC SOLAR CELLS AND MODULES WASTE
PublicationIn comparison to other energy producing techniques, photovoltaics (PV) is one of the most promising options: no emission of any matter into the environment during operation; extremely long operation period (estimated average: 25 years), minimum maintenance, robust technique, aesthetic aspects. The use of photovoltaics is rapidly increasing, and the respective market is developing accordingly. Although PV manufacturing equipment...
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Recycling of Photovoltaic Solar Cells and Modules - Te State - Of - Art
PublicationIn comparison to other energy producing techniques, photovoltaics (PV) is one of the most promising options: no emission of any matter into the environment during operation; extremely long operation period (estimated average: 25 years), minimum maintenance, robust technique, aesthetic aspects. The use of photovoltaics is rapidly increasing, and the respective market is developing accordingly. Although PV manufacturing equipment...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublicationWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublicationThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Niobate in silicate and phosphate glasses: Effect of glass basicity on crucible dissolution
PublicationUsing niobium crucibles for melting phosphate and silicate glasses of various modifier oxide contents, and therefore varying optical basicity (Λ), was found to result in varying dissolution rates of niobate during melting. Because of their high electronic polarizability, even small concentrations of niobates are detectable in the Raman spectra of glasses. Even less than 1 mol% Nb2O5 can be identified, as independently confirmed...
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Optimization-based antenna miniaturization using adaptively-adjusted penalty factors
PublicationThe continuing trend for miniaturization of electronic devices necessitates size reduction of the comprising components and circuitry. Specifically, integrated circuit-antenna modules therein require compact radiators in applications such as 5G communications, implantable and on-body devices, or internet of things (IoT). The conflict between the demands for compact size and elec-trical and field performance can be mitigated by...
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Improvement of Oxygen Electrode Performance of Intermediate Temperature Solid Oxide Cells by Spray Pyrolysis Deposited Active Layers
PublicationIntermediate temperature solid oxide fuel cells oxygen electrodes are modified by active interfacial layers. Spray pyrolysis is used to produce thin (≈500 nm) layers of mixed ionic and electronic conductors: Sm0.5Sr0.5CoO3−δ (SSC), La0.6Sr0.4CoO3−δ (LSC), La0.6Sr0.4Co0.2Fe0.8O3−δ (LSCF), and Pr6O11 (PrOx) on the electrode–electrolyte interface. The influence of the annealing temperature on the electrode polarization (area specific...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Effects of thermal history on the performance of low-temperature solid oxide fuel cells with Sm0.2Ce0.8O2-δ electrolyte and LiNi0.81Co0.15Al0.04O2 electrodes
PublicationIn this study, low-temperature solid oxide fuel cells with an ∼560 μm thick Sm0.2Ce0.8O2−δ (SDC) electrolyte and ∼890 μm thick LiNi0.81Co0.15Al0.04O2−δ (NCAL) electrodes are constructed and characterized under three experimental conditions. The cell with an NCAL cathode pre-reduced under an H2 atmosphere at 550 °C presents the best electrochemical performance. This is ascribed to facts that the reduction reaction generating Ni–Co...
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Digital Transformation of Terrestrial Radio: An Analysis of Simulcasted Broadcasts in FM and DAB+ for a Smart and Successful Switchover
PublicationThe process of digitizing radio is far from over. It is an important interdisciplinary aspect, involving Big Data and AI (Artificial Intelligence) when it comes to classifying and handling content, and an organizational challenge in the Industry 4.0 concept. There exist several methods for delivering audio signals, including terrestrial broadcasting and internet streaming. Among them, the DAB+ (Digital Audio Broadcasting plus)...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublicationInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublicationSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...