Filters
total: 123
filtered: 112
Search results for: LITHIUM-ION DIFFUSION COEFFICIENT
-
A negative effect of carbon phase on specific capacity of electrode material consisted of nanosized bismuth vanadate embedded in carbonaceous matrix
PublicationLithium-ion batteries (LIBs) are widely used all over the world. The LIBs belong to a renewable energy source and energy storage devices. The increase in energy demand causes that new materials of higher energy and higher power densities are still under investigation. Herein, we compare electrochemical properties of bismuth vanadate (BiVO4) embedded and not embedded into carbonaceous matrix as an anode material along with structural...
-
Preparation and structure of nanocrystalline sol-gel derived Cu doped LiTi2O4 powders
PublicationAmong the spinel oxides materials, lithium titanate (Li1+xTi2-xO4 where 0 ≤ x ≤ 0.33) could be very interested from pratical applications point of view. Lithium titanate is a II type spinel oxide superconductor with relatively high (~13 K for x = 0) superconducting transition temperature Tc. Above Tc lithium titanate shows metallic behaviour and can be used e.g. as electrodes for rechargeable lithium-ion batteries. Since the discovery...
-
Asymptotic Expansion Method with Respect to Small Parameter for Ternary Diffusion Models
PublicationTernary diffusion models lead to strongly coupled systems of PDEs. We choose the smallest diffusion coefficient as a small parameter in a power series expansion whose components fulfill relatively simple equations. Although this series is divergent, one can use its finite sums to derive feasible numerical approximations, e.g. finite difference methods (FDMs).
-
[N,N'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1-)-2[kappa]2N,N']-[mu]2-chlorido-1:2[kappa]2Cl:Cl-chlorido-2[kappa]Cl-bis(1,2-dimethoxyethane-1[kappa]2O,O')iron(II)lithium
PublicationIn the title compound, [FeLi(C29H41N2)Cl2(C4H10O2)2], theFeII atom is coordinated by two N and two Cl atoms,generating a distorted FeN2Cl2 tetrahedral geometry. Additionally,one of the chloride atoms bridges to a lithium ion,which is solvated by two dimethoxyethane molecules and iscoordinated in a distorted trigonal-bipyramidal environment.The central Fe, Cl (*2) and Li atoms are coplanar with amaximum deviation of 0.034 A ° .
-
Maximum transportation growth in energy and solute particles in Prandtl martial across a vertical 3D-heated surface: Simulations achieved using by finite element approach
PublicationThe goal of this study is to determine the maximum energy and solute particles' transportation growth in a 3D-heated region of Prandtl martial through a dynamic magnetic field. The effects of this field on the properties of solvent molecules and heat conduction are studied. A correctly stated functional method and a finite element approach are comparable to a certain type of differential equations. In order demonstrate the effects...
-
Imidazole-Based Lithium Salt LiHDI as a Solid Electrolyte Interphase-Stabilising Additive for Lithium-Conducting Electrolytes
PublicationLithium salt LiHDI (lithium 4,5-dicyano-2-(n-heptafluoropropyl)imidazolide) is proposed as a solid electrolyte interphase-stabilising additive for lithium-ion batteries, which can be added in a smaller amount than fluoroethylene carbonate (FEC) and vinylene carbonate (VC) additives. Electrolytes containing either lithium 4,5-dicyano-2-(trifluoromethyl)imidazolide (LiTDI) or battery-standard LiPF6 were tested with various amounts...
-
Reinforcement Learning Algorithm and FDTD-based Simulation Applied to Schroeder Diffuser Design Optimization
PublicationThe aim of this paper is to propose a novel approach to the algorithmic design of Schroeder acoustic diffusers employing a deep learning optimization algorithm and a fitness function based on a computer simulation of the propagation of acoustic waves. The deep learning method employed for the research is a deep policy gradient algorithm. It is used as a tool for carrying out a sequential optimization process the goal of which is...
-
Electrochemical Activity of Electrode Material Consisting of Porous Copper and Silica Aerogel
PublicationElectrochemically obtained copper was combined with silica aerogel (SiO2ag). Obtained composite (SiO2@Cu/CuxOy) was tested as an electrode in contact with LiPF6 in EC/DMC electrolyte. The electrochemical measurements showed the presence of complex redox couple activities of SiO2@Cu/CuxOy. This experiment was employed to help in understanding the carbon role used as an electric contact for silica in Li-Ion batteries and clarify...
-
A novel approach for processing CaAlSiON glass-ceramics by spark plasma sintering: Mechanical and electrical properties
PublicationLithium containing glassy materials can be used as solid electrolytes or electrode materials for lithium-ion batteries due to their high energy density. Conventional melt-quenched Ca11Al14Si16O49N10 glass powder containing 24 e/o N, doped with Li-ions (1, 3, and 6 wt. %) and sintered by spark plasma sintering technique (SPS) was studied. The benefits of using SPS to produce glass-ceramics are rapid heating rates compared to conventional...
-
Influence of Operation Conditions on Temperature Hazard of Lithium-Iron-Phosphate (LiFePO4) Cells
PublicationThe article presents and discusses the results of research on hazard, especially temperature, for selected lithium-ion-phosphate cells operated in accordance with the manufacturer’s recommendations but used under onerous mining conditions. This applies to the performance of cells in battery sets without the application of any management system (BMS). On the basis of the obtained test results, first of all, the influence of the...
-
The valance state of vanadium-key factor in the flexibility of potassium vanadates structure as cathode materials in Li-ion batteries
PublicationPotassium hexavanadate (K2V6O16·nH2O) nanobelts have been synthesized by the LPE-IonEx method, which is dedicated to synthesis of transition metal oxide bronzes with controlled morphology and structure. The electrochemical performance of K2V6O16·nH2O as a cathode material for lithium-ion batteries has been evaluated. The KVO nanobelts demonstrated a high discharge capacity of 260 mAh g−1, and long-term cyclic stability up to 100...
-
Usefulness of the voltamperometric method for assessment of the purity of soil
PublicationThis paper presents a voltammetric analysis of soil. It shows that the voltammetry is a useful method for the assessment of soil contaminated with heavy metal ions. There are two major problems with voltammetry analysis: the diffusion coefficient and the measurement system. The paper contains a short literature study of mathematical equations and a study of differences between soil and water measurements. Suggestions of the solution...
-
Locust bean gum as green and water-soluble binder for LiFePO4 and Li4Ti5O12 electrodes
PublicationLocust Bean Gum (LBG, carob bean gum) was investigated as an environmentally friendly, natural, and water-soluble binder for cathode (LFP) and anode (LTO) in lithium-ion batteries (Li-ion). For the frst time, we show LBG as an electrode binder and compare to those of the most popular aqueous (CMC) and conventional (PVDF) binders. The electrodes were characterized using TGA/DSC, the galvanostatic charge–discharge cycle test, cyclic...
-
Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
-
Silicon oxycarbide-tin nanocomposite derived from a UV crosslinked single source preceramic precursor as high-performance anode materials for Li-ion batteries
PublicationIn this work, we report an innovative and facile UV light-assisted synthesis of a nanocomposite based on silicon oxycarbide (SiOC) and tin nanoparticles. SiOC ceramic matrix, containing a conductive free carbon phase, participates in lithium-ion storage, and buffers the volume changes of Li-alloying/de-alloying material. The reported synthesis procedure through a polymer-derived ceramic route involves the preparation of a single-source...
-
Charge Transport in High-Entropy Oxides
PublicationThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
-
Electrochemical Characterization of Gelatine Derived Ceramics
PublicationNew materials obtained by pyrolysis of gelatine (G) and poly(1,2-dimethylsilazane) (PSN) (weight ratio: G/PSN 70/30) at temperatures 700 and 900 °C were characterized by SEM and Raman spectroscopy. The presence of ceramics influences on the cluster size of the materials. Electrochemical tests were performed by cyclic voltammetry and galvanostatic cyclic polarization. The capacity of G/PSN was 464 and 527 mAh/g for materials pyrolysed...
-
Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
-
Artificial neural network prophecy of ion exchange process for Cu (II) eradication from acid mine drainage
PublicationThe removal of heavy metal ions from wastewater was found to be significant when the cation exchange procedure was used effectively. The model of the cation exchange process was built using an artificial neural network (ANN). The acid mine drainage waste’s Cu(II) ion was removed using Indion 730 cation exchange resin. Experimental data from 252 cycles were recorded. In a column study, 252 experimental observations validated the...
-
Mass transfer in Spinning Fluids Reactor — Measurement and prediction
PublicationSpecific mass transfer area (a) and overall volumetric mass transfer coefficient (kLa) are mass transfer parameters commonly used in the description and comparison of various chemical reactors’ constructions. Determination of these was performed for Spinning Fluids Reactor (SFR). Sodium sulfite oxidation in the presence of cobalt ion catalyst was used for the determination of a and kLa. The a and kLa were successful predicted....
-
Electrochemical behavior of a composite material containing 3D-structured diatom biosilica
Publication3D-structured diatom biosilica mixed with conducting carbon black was investigated as an active electrode material for lithium-ion batteries. Diatom biosilica was obtained by cultivation of the selected diatom species under laboratory conditions. Several instrumental techniques (XRD, FTIR, Raman, SEM-EDX, TGA) were used to characterize the physicochemical properties of applied biosilica. It was evidenced that the prepared new composite...
-
Theoretical investigation of the structural insights of the interactions of γ-Fe2O3 nanoparticle with (EMIM TFSI) ionic liquid
PublicationOne of the possible applications of ionic liquids is to produce electricity from heat. The iron oxide nanoparticle is a potent electrical particle, which is expected to improve the heat’s efficiency to electricity conversion, however, it is prone to aggregation and sedimentation, which hamper its application. One of the methods to enhance the nanoparticle’s solubility and electrical properties is the use of a stabilizing component...
-
An Easy and Ecological Method of Obtaining Hydrated and Non-Crystalline WO3−x for Application in Supercapacitors
PublicationIn this work, we report the synthesis of hydrated and non-crystalline WO3 flakes (WO3−x) via an environmentally friendly and facile water-based strategy. This method is described, in the literature, as exfoliation, however, based on the results obtained, we cannot say unequivocally that we have obtained an exfoliated material. Nevertheless, the proposed modification procedure clearly affects the morphology of WO3 and leads to loss...
-
Silicon Oxycarbide-Graphite Electrodes for High-Power Energy Storage Devices
PublicationHerein we present a study on polymer-derived silicon oxycarbide (SiOC)/graphite composites for a potential application as an electrode in high power energy storage devices, such as Lithium-Ion Capacitor (LIC). The composites were processed using high power ultrasound-assisted sol-gel synthesis followed by pyrolysis. The intensive sonication enhances gelation and drying process, improving the homogenous distribution of the graphitic...
-
The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
-
The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
-
Designing acoustic scattering elements using machine learning methods
PublicationIn the process of the design and correction of room acoustic properties, it is often necessary to select the appropriate type of acoustic treatment devices and make decisions regarding their size, geometry, and location of the devices inside the room under the treatment process. The goal of this doctoral dissertation is to develop and validate a mathematical model that allows predicting the effects of the application of the scattering...
-
Influence of iron content on water uptake and charge transport in BaCe0.6Zr0.2Y0.2−xFexO3−δ triple-conducting oxides
PublicationIn this work, we studied the BaCe0.6Zr0.2Y0.2−xFexO3−δ system which belongs to the triple-conducting oxides (TCOs) group. The electrochemical properties of BaCe0.6Zr0.2Y0.2−xFexO3−δ were investigated using electrochemical impedance spectroscopy (EIS) and the water uptake was analyzed using thermogravimetry (TG). All investigated materials exhibited water uptake, with proton concentration increasing with decreasing iron content....
-
CGO FILMS ON YSZ ELECTROLYTE FABRICATED BY SPRAY PYROLYSIS FOR SOFC
PublicationINTRODUCTION Solid oxide fuel cells are one of the fastest developing energy converters. The advancement introduced by research community provides steady state progress is stability and performance of the fuel cells. Significant influence on the cell’s performance and stability is related to cell design. The simplest design just consists of an anode, a solid electrolyte and a cathode. However, in order to improve the properties,...
-
Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublicationThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
-
Two kinds of oxygen vacancies in lithium titaniate doped with copper as detected by EPR
PublicationLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure and morphology are characterized by X-ray Diffraction (XRD), X-ray Photoemission Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). Spin Hamiltonian parameters describing Zeeman and hyperfine interaction for 63Cu2+ ions were obtained from EPR spectra simulations. The spectra...
-
Impact of Boundary Conditions on Acoustic Excitation of EntropyPerturbations in a Bounded Volume of Newtonian Gas
PublicationExcitation of the entropy mode in the field of intense sound, that is, acoustic heating, is theoreticallyconsidered in this work. The dynamic equation for an excess density which specifies the entropy mode,has been obtained by means of the method of projections. It takes the form of the diffusion equation withan acoustic driving force which is quadratically nonlinear in the leading order. The diffusion coefficient isproportional...
-
Experimental Study of Polish Sausage Drying Kinetics and Contraction by Image Data Analysis
PublicationThe goal of this paper has been to add an experimental data set for drying a meat product and provide a comparison with well-established thin-layer drying models. This article presented experimental investigations on the convective drying of Polish sausage slices at a temperature of 40°C. Slices have been in the thickness of 3 to 8mm. Measurements of mass loss and size change were performed. The data have been presented in the...
-
The mechanisms of degradation of titanium dental implants
PublicationTitanium dental implants show very good properties, unfortunately there are still issues regarding material wear due to corrosion, implant loosening, as well as biological factors—allergic reactions and inflammation leading to rejection of the implanted material. In order to avoid performing reimplantation operations, changes in the chemical composition and/or modifications of the surface layer of the materials are used. This research...
-
Nonlinear electrical properties of glass-ceramics nanocomposites containing ferroelectric nanocrystallites of Bi2VO5.5
PublicationNonlinear A.C. impedance measurements were conducted in the 50BiV-50SrBAlO nanocomposite as a function of frequency, temperature and A.C. voltage. This material is ferroelectric below temperature of 730 K, and above 730 K is a good ion-conductor. For this nanocomposite a low A.C. voltage of 1 V rms is enough to observe high nonlinearities. The origin of these nonlinear effects depends on the temperature and frequency. In the high...
-
Mechanism of Li nucleation at graphite anodes and mitigation strategies
PublicationLithium metal plating is a critical safety issue in Li-ion cells with graphite anodes, and contributes significantly to ageing, drastically limiting the lifetime and inducing capacity loss. Nonetheless, the nucleation mechanism of metallic Li on graphite anodes is still poorly understood. But in-depth understanding is needed to rationally design mitigation measures. In this work, we conducted FirstPrinciples studies to elucidate...
-
Tuning the work function of graphite nanoparticles via edge termination
PublicationGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
-
Fluctuation-Enhanced Sensing for Biological Agent Detection and Identification
PublicationPrzedstawiono wcześniejsze wyniki badań dotyczące trzech różnych sposobów wykrywania obecności substancji biologicznych za pomocą zjawisk fluktuacyjnych: 1) wirusów wnikających do komórek, 2) zapachów emitowanych przez mikroby, 3) rozkładu widma i wartości chwilowych szumów podczas rozpraszania światła używanego do wykrywania zarodników na podstawie wyznaczenia współczynnika dyfuzji opisująceo ich ruch.We survey and show our earlier...
-
Bias-Dependent Dynamics of Degradation and Recovery in Perovskite Solar Cells
PublicationDegradation of perovskite solar cells (PSCs) is often found to be partially or fully reversible when the cells are allowed to recover in the dark. Unlike the dynamics of degradation, knowledge about the dynamics of PSC cell recovery is very limited. Here, we demonstrate that the PSC recovery strongly depends on the electrical bias conditions during the light-induced degradation and that it can be manipulated by applying an external...
-
Transport properties of microemulsions with ionic liquid apolar domains as a function of ionic liquid content
PublicationThe specific conductivity, dynamic viscosity and apparent diffusion coefficient of each of four aqueous ionic liquid microemulsions (IL-MEs) were measured as a function of ionic liquid (IL) content. The investigated systems were composed of water, hydrophobic ILs (1-butyl-3-methylimidazolium hexafluorophosphate or bis(trifluoromethanesulphonyl)imide) and the nonionic surfactant Triton X-100 or its mixture with cosurfactant (butanol)....
-
Powering the Future by Iron Sulfide Type Material (FexSy) Based Electrochemical Materials for Water Splitting and Energy Storage Applications: A Review
PublicationWater electrolysis is among the recent alternatives for generating clean fuels (hydrogen). It is an efficient way to produce pure hydrogen at a rapid pace with no unwanted by-products. Effective and cheap water-splitting electrocatalysts with enhanced activity, specificity, and stability are currently widely studied. In this regard, noble metal-free transition metal-based catalysts are of high interest. Iron sulfide (FeS) is one...
-
Hydrothermal synthesis of vanadium ammonium compounds – the crucial role of the pressure
PublicationDue to the structural diversity and chemical activity, vanadium oxides and their derivatives are continuingly in the great interest of scientist. In a large family of vanadium compounds, one of the most interesting are ammonium vanadates (with the general formula (NH4)xVyOz). They have received much attention because of their promising application as cathode material in mono- and multivalent-ion batteries [1]. Hydrothermal synthesis...
-
Spetiation of organic matter in Vertical Flow Constructed Wetlands
PublicationThe object of the research were VFCWs which are a component of biological treatment of two hybrid hydrophyte systems located in Wieszyno and Wiklino, close to Słupsk, Poland. The facilities that are subject to analyses are unified in terms of structure (filtration material, depth of the bed and time of operation), but they differ in organic matter load, amounting respectively to: 8.0 gCOD/m2day and 31.0 gCOD/m2day.The intensity...
-
Use of pyridinium and pyrrolidinium ionic liquids for removal of toluene from gas streams
PublicationSeparation of toluene from a toluene/N2 gas mixture using supported liquid membranes based on a series of pyridinium (1-butylpyridinium- bis(trifluoromethylsulfonyl)imide - [C4Py][Tf2N], 1-hexylpyridinium trifluoromethanesulfone [C6Py][Tf2N]) and pyrrolidinium (1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C4Pyrr][Tf2N], 1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C6Pyrr][Tf2N], 1-butyl-1-methylpyrrolidinium...
-
Polymer derived SiOC/Sn nanocomposites from a low-cost single source precursor as anode materials for lithium storage applications
PublicationMetal- based materials capable of lithium (Li) alloy formation are key to realization of the next generation of high-energy density anodes for Li-ion batteries, owing to their high storage capacity. Designing a good sup- porting matrix is essential for homogeneously nesting these metallic nanodomains, to effectively utilize their high capacity while tackling the volume expansion issues. Silicon oxycarbides (SiOC), obtained via...
-
SEI Growth and Depth Profiling on ZFO Electrodes by Soft X-Ray Absorption Spectroscopy
PublicationZnFe2O4 (ZFO) Li-ion batteries (LIBs) represent a reliable, affordable, and safe energy storage technology for use in portable application. However, current LIB active materials (graphite, lithium/transition metal spinel or layered oxides, olivine structures) can store only limited energy since they rely on insertion storage based on solid-state host-guest interactions. Moreover, performances and durability of the cells are strongly...
-
Material Design and Optimisation of Electrochemical Li-Ion Storage Properties of Ternary Silicon Oxycarbide/Graphite/Tin Nanocomposites
PublicationIn this work, we present the characterization and electrochemical performance of various ternary silicon oxycarbide/graphite/tin (SiOC/C/Sn) nanocomposites as anodes for lithium-ion batteries. In binary SiOC/Sn composites, tin nanoparticles may be produced in situ via carbothermal reduction of SnO2 to metallic Sn, which consumes free carbon from the SiOC ceramic phase, thereby limiting the carbon content in the final ceramic nanocomposite....
-
Innovative Implantable Left Ventricular Assist Device—Performance under Various Resistances and Operating Frequency Conditions
PublicationThis paper presents the operation of an innovative left ventricular assist device under various resistances and operating frequencies. The operating principle of the device is based on pulsatile blood flow, which is forced by a suction–discharge device pumping helium into a set of intra-cardiac balloons. In this way, the ejection fraction of the left ventricle is increased, and the mitral valve is additionally occluded. What is...
-
Generalized Einstein relation in disordered organic semiconductors: Influence of the acoustic phonons–charge carriers scattering
PublicationIn this work, we analyze the generalized Einstein relation for disordered organic semiconductors with a non-equilibrium Druyvesteyn-type distribution function. The Druyvesteyn behavior of hot electrons in a solid state is associated with the acoustic phonons–charge carriers scattering. Such a case has been experimentally demonstrated in electroluminescent inorganic rare–earth–doped zinc chalcogenides. Therefore, we can assume that,...
-
Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...