Filters
total: 503
filtered: 442
-
Catalog
Chosen catalog filters
Search results for: SURFACE CHARGE
-
On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublicationThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
-
Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublicationLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
-
Energy consumption estimation of low-power devices using an integrating coulombmeter
PublicationThe main problem in designing devices powered with Energy Harvesting is an estimation of energy demand of low-power devices as well as quantity of energy provided by the selected energy transducer in the assumed work conditions. Due to the work characteristic of each block of the device and properties of the measured signal, measurement is not trivial. The paper presents the proposal of the micro-charge measurement device based...
-
Cu-Doped Layered Double Hydroxide Constructs the Performance-Enhanced Supercapacitor Via Band Gap Reduction and Defect Triggering
PublicationLayered double hydroxides (LDHs) are regarded as the excellent electrode materials for supercapacitors because of their high theoretical capacitance and abundance. However, the poor conductivity and limited reaction kinetics of LDHs restrict their practical application severely. Herein, Cu is chosen from groups VIII/IB/IIB as dopants for Co-based LDH (CuCo-LDH). The designed metal–organic framework-derived hierarchical CuCo-LDH...
-
Innovative system for energy collection and management integrated within a photovoltaic module
PublicationThe dynamic development of battery technology and design based on the flow of lithium ions, mainly driven by the needs of the automotive industry, leads to the conclusion that these batteries are becoming a more viable alternative to traditional lead-acid batteries. Their use is driven by the ability to quickly charge and discharge, a higher durability, maintenance-free operation, much smaller dimensions and lighter weight. The...
-
Optoelectronic properties of curved carbon systems
PublicationSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
-
Modelling of Graphene Field-Effect Transistor for lectronic sensing applications
PublicationA top-gated Graphene Field-Effect Transistor (GFET) suitable for electronic sensing applications was modelled. The applied simulation method reproduces correctly the output transfer GFET characteristics and allows to investigate doping effect caused by different physical, chemical or biological factors. The appearance of additional charge in the system results in the shift of the current-voltage characteristic. This feature could...
-
Electrodes consisting of PEDOT modified by Prussian Blue analogues deposited onto titania nanotubes – Their highly improved capacitance
PublicationIn this work we present the outstanding energy storage of prepared inorganic-organic heterojunction where hydrogenated ordered titania nanotubes (H-TiO2NT) were modified by the hybrid made of poly(3,4-ethylenedioxythiophene) (pEDOT) and iron hexacyanoferrate centres (Fehcf, Prussian Blue). The material TiO2NT/pEDOT:Fechf was obtained electrochemically by means of: anodization, hydrogenation and finally, electropolymerization of...
-
Switched-capacitor DC-DC converters in arbitrary switching mode - topologically derived resistive models based on incremental graph approach.
PublicationIn the preceding paper we reviewed some of modeling approaches aimed at systematic formulation and solution of switched capacitor DC-DC converters. In our review, special attention was paid to computationally efficient and mathematically elegant methods. In so doing we had tried to demonstrate the virtues of unified Incremental Graph (IG) approach. Incremental Graph is, in concept, a tool originally created for analysis and synthesis...
-
If Gravity is Geometry, is Dark Energy just Arithmetic?
PublicationArithmetic operations (addition, subtraction, multiplication, division), as well as the calculus they imply, are non-unique. The examples of four-dimensional spaces, R^4 and (−L/2,L/2)^4, are considered where different types of arithmetic and calculus coexist simultaneously. In all the examples there exists a non-Diophantine arithmetic that makes the space globally Minkowskian, and thus the laws of physics are formulated in terms...
-
Enhanced trap-assisted recombination in organic semiconductors
PublicationAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....
-
Aryl and N-arylamide carbon nanotubes for electrical coupling of laccase to electrodes in biofuel cells and biobatteries
PublicationSingle walled carbon nanotubes (SWCNTs) were equipped with aryl residues by chemical reactions. These insoluble materials were used to substitute classical soluble mediators, which help to transfer electrical charge between the conducting electrode and the redox active center of enzyme molecules. The effect of different aryl residues on the efficiency of the catalytic reduction of dioxygen in the presence of laccase was systematically...
-
GRAPHENE-BASED SUPERCAPACITORS APPLICATION FOR ENERGY STORAGE
PublicationRecent advances in graphene-based supercapacitor technology for energy storage application were summarized. The comparison of different types of electrode materials in such supercapacitors was performed. The supercapacitors with graphene-based electrodes exhibit outstanding performance: high charge-discharge rate, high power density, high energy density and long cycle-life, what makes them suitable for various applications, e.g....
-
Influence of dipoles on the recombination in organic photovoltaic devices
PublicationAlthough organic compounds are promising materials to use them in photovoltaic devices, the efficiencies of organic solar cells are still lower in comparison to inorganic photocells. The recombination of charge carriers leads to the loss of photocurrent, therefore a detailed theoretical description of this process is required. In the present work, an influence of interface dipoles on the recombination process is discussed. We show...
-
Analysis and characterization of coordination compounds by resonance Raman spectroscopy
PublicationResonance Raman spectroscopy has become a powerful tool to study excited-state geometries, excited-state charge distributions and photoinduced reaction dynamics in coordination compounds. Due to their rich photophysical properties coordination compounds are utilized for a variety of applications ranging from DNA sensing to photocatalysis. This review features recent applications of various resonance Raman scattering techniques...
-
Innovative Gathering and Energy Management System Integrated within PV Module
PublicationThe dynamic development of battery technology and design based on the flow of lithium ions, mainly driven by the needs of the automotive industry leads to the Conclusion That they are becoming a more viable alternative to traditional lead-acid batteries. Their use is driven by the ability it quickly charge and discharge times higher durability, maintenance-free operation and much smaller dimensions as well as weight. The emergence...
-
Synthesis, Molecular Structure, Metabolic Stability and QSAR Studies of a Novel Series of Anticancer N-Acylbenzenesulfonamides
PublicationA series of novel N-acyl-4-chloro-5-methyl-2-(R1-methylthio)benzenesulfonamides 18–47 have been synthesized by the reaction of N-[4-chloro-5-methyl-2-(R1-methylthio) benzenesulfonyl]cyanamide potassium salts with appropriate carboxylic acids. Some of them showed anticancer activity toward the human cancer cell lines MCF-7, HCT-116 and HeLa, with the growth percentages (GPs) in the range from 7% to 46%. Quantitative structure-activity relationship...
-
Interactions of positrons with atoms and molecules
PublicationThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
-
Practical application of in motion charging: Trolleybuses service on bus lines
PublicationNight charging and fast charging are currently the two most common systems for charging electric buses. Despite the fact that numerous trial installations were started, neither of these two systems has obtained unqualified approval of the users. The alternative is to charge vehicles in motion (the so-called In Motion Charging), which combines the advantages of trolleybus transport and of electric buses: the main supply source are...
-
The impact of air humidity on the operation of proton exchange membrane fuel cells determined using dynamic electrochemical impedance spectroscopy
PublicationThis paper describes the changes in the fuel cell impedance across a range of current loads and humidity changes. The changes of each equivalent circuit parameters representing specific processes occurring in fuel cells, as a function of humidity and current changes, were determined. Within the combined scope of current and humidity, the optimal working conditions of the cells were determined, corresponding to the lowest impedance...
-
Performance of lubricated sliding contact in magnetic field
PublicationResults of experimental studies concerning theinfluence of permanent magnetic field on wear of lubricatedsliding contact operating at short stroke and highfrequency are presented. It was found that horizontalmagnetic is affecting performance of the contact. Thejagged delamination regions produced in the presence of amagnetic field can be regarded as easily undergoing oxidisationbecause oxygen is readily adsorbed there. Magneticfield...
-
Interactive Application for Visualization of the Basic Phenomena in RF and Microwave Devices
PublicationAn interactive computer application visualizing the basic phenomena in RF and microwave devices is presented. Such kind of educational package can be a very helpful tool for the students as well as for the teachers (of electronics and related fields). This paper is focused on three exemplary problems only and involves: movement of electric charge, filtering of electromagnetic waves and interference phenomena in antenna arrays. The...
-
Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
PublicationThe lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin...
-
Long-Term Measurement of Physiological Parameters – Child Dataset
PublicationThe dataset titled “Long-term measurement of physiological parameters – child is one dataset” of the bigger series named Long-term measurement of physiological parameters. The dataset contains physiological parameter measurements such as skin temperature and resistance, blood pulse, as well as the stress detection marker, which can have a value of 0 when there is no stress detected or 1 when stress appeared. Additionally, the dataset...
-
Analysis of higher recombination orders in organic bulk heterojunction solar cells
PublicationRecently, it has been experimentally demonstrated that an order of nongeminate recombination exceeds two in some types of organic bulk heterojunction donor-acceptor structures. This result is different than for the case of bimolecular recombination described by Langevin theory. Although several theoretical explanations of this effect have been presented, the origin of higher recombination orders is still questionable. In this work,...
-
The Conference Report of Why R? Turkey 2022: The First R Conference with Call For Papers in Turkey
PublicationWhy R? Turkey 2022 was a non-profit conference that aimed to bring Turkish R users together and encourage them to attend the R conferences. The targeted audience of the conference consisted of, data scientists, data analysts, and all R users from academia and industry. The three-day conference, which consisted of several events such as workshops, regular talks, lightning talks, short tutorials, and panels, was free of charge and...
-
Improving the Performance of a Graphite Foil/Polyaniline Electrode Material by a Thin PEDOT:PSS Layer for Application in Flexible, High Power Supercapacitors
PublicationIn this study, we present a novel strategy for enhancing polyaniline stability and thus obtaining an electrode material with practical application in supercapacitors. A promising (graphite foil/polyaniline/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) GF/PANI/PEDOT:PSS) electrode material was characterized and used in the construction of a symmetric supercapacitor that provides an outstanding high power density. For this...
-
Triplet Formation and Triplet‐Triplet Annihilation Upconversion in Iodine Substituted Non‐Orthogonal BODIPY‐Perylene Dyads
PublicationBODIPY-perylene dyads have emerged as useful metal free sensitizers for triplet-triplet annihilation upconversion (TTAUC), these dyads are capable of efficient triplet generation via spinorbit charge transfer intersystem crossing (SOCT-ISC). This important route to triplet formation requires dyads in which two moieties are oriented perpendicular to each other. In this contribution, we give a deeper insight on the behavior of recently...
-
Tuning the Laser-Induced Processing of 3D Porous Graphenic Nanostructures by Boron-Doped Diamond Particles for Flexible Microsupercapacitors
PublicationCarbon (sp3)-on-carbon (sp2) materials have the potential to revolutionize fields such as energy storage and microelectronics. However, the rational engineering and printing of carbon-on-carbon materials on flexible substrates remains a challenge in wearable electronics technology. This study demon-strates the scalable fabrication of flexible laser-induced graphene (LIG)-boron doped diamond nanowall (BDNW) hybrid nanostructures...
-
Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublicationA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
-
Electrical properties of hybrid planar diode based on palladium phthalocyanine and titanium dioxide
PublicationThis work details experimental studies of a planar diode made of indium tin oxide/titanium dioxide/palladium phthalocyanine/gold. The rectification ratio of current was 105 at 1.5 V. The analysis of the electrical properties of the system was based on small signal complex capacitance spectra measured in the frequency range of 25 Hz-1 MHz at different values of bias. No depletion region at the TiO2/PdPc interface was observed. Forward...
-
High order of nongeminate recombination in organic bulk heterojunction solar cells
PublicationWe analyze high order of nongeminate recombination in organic donor–acceptor bulk heterojunction solar cells. The model of recombination where an exciton annihilates on an electron–hole Langevin bound pair near donor–acceptor interface has been applied in our studies. We obtained satisfactory agreement between experimental results and theoretical calculations for the concentration dependences of several parameters characterizing...
-
Silver complexes stabilized by large silanethiolate ligands – crystal structures and luminescence properties
PublicationBulky silanethiolate and disiladithiolate ligands were applied to synthesize one mononuclear and three trinuclear silver complexes including two cyclic “microclusters” and a linear tri-nuclear silanethiolate complex. All obtained compounds are characterized by X-ray diffraction and FT-IR. NMR and emission spectroscopies were used where possible. The first trinuclear anionic silver thiolate is structurally characterized. The influence...
-
Controlling the europium oxidation state in diopside through flux concentration
PublicationThis paper explores the connection between the H3BO3 flux concentration and the co-existence of Eu2+ and Eu3+ dopants within CaMgSi2O6 crystals (diopside). The samples were synthesised using a solid-state synthesis method under varying atmospheric conditions, including oxidative (air), neutral (N2), and reductive (H2/N2 mixture) environments. Additionally, some materials underwent chemical modification by partially substituting...
-
Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublicationThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
-
Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
-
Electrochemically Induced Synthesis of Triphenylamine-based Polyhydrazones
PublicationTriphenylamine-based hydrazones were subjected to electropolymerization process that gave well conductive hydrazone based polymers. The first example of polyhydrazone formation during the electrochemical process was shown. The estimation of polymer structure was demonstrated using IR spectroelectrochemistry. The EPR spectroelectrochemistry allowed to explain why in some cases dimer couldn’t be formed. The results of electrochemical,...
-
Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate
PublicationIn the title compound, NH4+·(C2H5O)2PS2−, the ammonium cation is connected by four charge-assisted N−H···S hydrogen bonds to four tetrahedral O,O'-diethyl dithiophosphate anions, forming layers parallel to (100). The polar and non-polar constituents of the layers are stacked alternately along [100]. Interlacing of the external ethyl groups...
-
Red Algae – An Alternative Source of Carbon Material for Energy Storage Application
PublicationNew electrode material obtained by pyrolysis of aquatic biomass macro (red algae) soaked with glucose solution has been characterized by SEM, EDX and Raman spectroscopy. Graphitized carbon was identified by Raman spectroscopy. Galvanostatic cyclic polarization of the materials in contact with 1M LiPF6 electrolyte in EC:DMC (1:1 v/v) and Li as a counter electrode was performed. Specific capacity of the novel material was enhanced...
-
Production of singlet oxygen atoms by photodissociation of oxywater
PublicationQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
-
Mixed, quantum-classical description of electron density transfer in the collision process
PublicationIn this work, we investigate an ion-atom model describing the time-dependent evolution of electron density during the collision. For a S3+- H system, numerical simulations are based on classical trajectory calculations, and the electron density behaviour is described with the time-dependent Schrödinger equation. We apply the finite difference method to obtain quantitative insights into the charge transfer dynamics, providing detailed...
-
Unraveling Energy Transfer and Fluorescence Quenching Dynamics in Biomolecular Complexes: A Comprehensive Study of Imiquimod-Rifampicin Interaction.
PublicationIn nature, numerous biomolecules are implicated in charge transfer (CT) and energy transfer (ET) mechanisms crucial for fundamental processes such as photosynthesis. Unveiling these mechanisms is pertinent to multiple disciplines including chemistry, engineering and biochemistry. This letter presents a study involving two molecules forming a model system with efficient ET properties. Specifically, their complex exhibits dark quenching...
-
Dynamic Charging of Electric Buses as a Way to Reduce Investment Risks of Urban Transport System Electrification
PublicationNight charging and fast charging are currently the two most common systems for charging electric buses. Despite the fact that numerous trial installations were started, neither of these two systems has obtained unqualified approval of the users. The alternative is to charge vehicles in motion - dynamic charging which combines the advantages of trolleybus transport and of electric buses. One of the advantages is the reduction of...
-
Identification of diagnostic parameter sensitivity during dynamic processes of a marine engine
PublicationChanging some parameters of the engine structure alters the emission of harmful components in the exhaust gas. This applies in particular to the damage of charge exchange system as well as fuel system and engine supercharger. These changes are much greater during the dynamic states and their accompanying transitional processes. The different sensitivity of diagnostic parameters to the same force, coming from the engine structure, but...
-
Impedance of cation-coupled electron transfer reaction: Theoretical description of one pathway process
PublicationIt has been assumed that cation electron coupled charge transfer can be conducted in accordance with two mutually coupled reactions. Using a differential method an expression was introduced which describes the impedance of a cation electron coupled transfer reaction. Also, an electrical equivalent circuit has been defined. The total faradaic impedance is the sum of electron transfer impedance and cation transfer impedance. Issues...
-
Exploring the cocrystallization potential of urea and benzamide
PublicationThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
-
Efficiency and proportions of waste tyre pyrolysis products depending on the reactor type—A review
PublicationThis article discusses the current use of different pyrolytic reactors, their constructions and operating principles regarding the yields of main products of waste tyre pyrolytic recycling. Whether one makes a larger or smaller profit, or even a loss due to a surcharge being levied on waste tyre recycling, depends on the sale of the pyrolysis products (gas, char, oil), the proportions and market prices of which differ. The cheapest...
-
Polaron hopping conduction in manganese borosilicate glass
PublicationA study on a novel material - manganese borosilicate glass without alkali metals, was reported. It was found that the obtained samples containing high amount of manganese oxide (60MnO–xSiO2–(40 − x)B2O3, x = 5, 10, 15, 20 and 30 mol%) were amorphous and homogeneous. XPS measurements showed that most of manganese ions are at oxidation level of Mn2 + ions and the mean oxidation level slightly moves toward higher value, with increasing...
-
New Method of Non-Linear Electrochemical Impedance Spectroscopy with an Amplitude-Modulated Perturbation Signal
PublicationThe paper presents a new method of non-linear electrochemical impedance spectroscopy (NLEIS), which allows fast and nondestructive evaluation of the corrosion rate and determination of the Tafel coefficients values for a corrosion system under investigation. This method employs amplitude modulation of the ac perturbation signal. The study demonstrated that it was possible to obtain impedance characteristic as a function of the...
-
Closed-form expression for the magnetic shielding constant of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac–Coulomb Green function
PublicationWe present analytical derivation of the closed-form expression for the dipole magnetic shielding constant of a Dirac one-electron atom being in an arbitrary discrete energy eigenstate. The external magnetic field, by which the atomic state is perturbed, is assumed to be weak, uniform, and time independent. With respect to the atomic nucleus we assume that it is pointlike, spinless, motionless, and of charge Ze. Calculations are...