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Search results for: band structure calculations
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Optimizing Ni–Cr patterned boron-doped diamond band electrodes: Doping effects on electrochemical efficiency and posaconazole sensing performance
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Thermal stabilization and energy transfer in narrow-band red-emitting Sr[(Mg2Al2)1−y(Li2Si2)yN4]:Eu2+phosphors
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Influence of controlled crystallization and SrF2 content on the structure and properties of Eu3+ doped phosphate glasses
PublicationNew phosphate glasses and glass-ceramics P2O5–Bi2O3–K2O–Nb2O5-SrF2 doped with Eu were synthesized and studied in this work. The influence of the SrF2 content (0–15 mol%) and the parameters of the heat treatment on their structural and optical properties were investigated. For the above purpose, the structural characterization by FTIR spectroscopy and XRD measurements was carried out, which showed a significant effect of SrF2 on...
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MARSTRUCT benchmark study on nonlinear FE simulation of an experiment of an indenter impact with a ship side-shell structure
PublicationThis paper presents a benchmark study on collision simulations that was initiated by the MARSTRUCT Virtual Institute. The objective was to compare assumptions, finite element models, modelling techniques and experiences between established researchers within the field. Fifteen research groups world-wide participated in the study. An experiment involving a rigid indenter penetrating a ship-like side structure was used as the case...
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Structure and optical parameters of Eu doped tellurium oxide thin films prepared by reactive magnetron sputtering method
PublicationIn this work the structural properties and photoluminescence of tellurium dioxide thin films doped by europium were described. Thin films were deposited by magnetron sputtering method and simultaneously heated at 200 °C. Presence of Eu ions and their valence states was confirmed by X-ray photoemission spectroscopy measurements. The structure of the films as well as the influence of europium dopant on crystalline structure of the...
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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...
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Automatic localization and continous tracking of mobile sound source using passive acoustic radar
PublicationA concept, practical realization and applications of the passive acoustic radar for localization and continuous tracking of fixed and mobile sound sources such as: cars, trucks, aircrafts and sources of shooting, explosions were presented in the paper. The device consists of the new kind of multi-channel miniature three dimensional sound intensity sensors invented by the Microflown company and a group of digital signal processing...
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Badanie i analiza dokładności estymacji położenia obiektów ruchomych w hybrydowym systemie lokalizacyjnym
PublicationW niniejszej rozprawie dyskusji poddano dokładność lokalizacji poruszających się osób w środowiskach wewnątrzbudynkowych. W świetle bieżących oczekiwań służb państwowych, czy też podmiotów gospodarczych znajomość położenia osób wewnątrz budynków jest niezwykle ważna, lecz jego określenie jest problematyczne np. z racji utrudnionej propagacji sygnałów radiowych. W rozprawie przedstawiono propozycję budowy hybrydowego systemu lokalizacyjnego,...
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Experimental investigations on heat transfer enhancement in shell coil heat exchanger with VARIABLE Baffles GEOMETRY
PublicationThe paper presents the possibility of using passive intensification of heat transfer in the form of baffles to increase the energy efficiency of the shell and coil heat exchanger. The experiment was carried out by using a modular coil heat exchanger in the form of an electric heater. Water was used as a working fluid with constant thermal-flow parameters at the inlet of the module. It should be noted that experiments were made...
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Bismuth-based nanomaterials-assisted photocatalytic water splitting for sustainable hydrogen production
PublicationThe rapidly increase in the world's population has resulted in a corresponding increase in the energy demand. This demand is largely being met by fossil fuels for power generation, industrial fuel and transportation. However, due to the limited availability of fossil fuels and their negative effects on the environment. The use of fossil fuels results in by-products such as carbon, nitrogen and sulfur oxides which have negative...
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On Accelerated Metaheuristic-Based Electromagnetic-Driven Design Optimization of Antenna Structures Using Response Features
PublicationDevelopment of present-day antenna systems is an intricate and multi-step process requiring, among others, meticulous tuning of designable (mainly geometry) parameters. Concerning the latter, the most reliable approach is rigorous numerical optimization, which tends to be re-source-intensive in terms of computing due to involving full-wave electromagnetic (EM) simu-lations. The cost-related issues are particularly pronounced whenever...
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Bismuth-based nanomaterials-assisted photocatalytic water splitting for sustainable hydrogen production
PublicationThe rapidly increase in the world's population has resulted in a corresponding increase in the energy demand. This demand is largely being met by fossil fuels for power generation, industrial fuel and transportation. However, due to the limited availability of fossil fuels and their negative effects on the environment. The use of fossil fuels results in by-products such as carbon, nitrogen and sulfur oxides which have negative...
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Multifaceted Analyses of Four Different Prototype Lightweight Photovoltaic Modules of Novel Structure
PublicationDynamic growth of photovoltaic capacity in Poland encourages many entities to invest in photovoltaic systems. However, in the case of buildings with low roof-bearing capacity it can be problematic or even impossible to mount conventional PV modules due to their relatively high weight. Hence, the use of lightweight PV modules is a potential solution. In this paper four different prototype silicon lightweight modules of novel structure...
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FE calculations of a deterministic and statistical size effect in concrete under bending within stochastic elasto-plasticity and non-local softening
PublicationW artykule przedstawiony wyniki obliczeń MES deterministycznego i statystycznego efektu skali w belkach betonowych podczas zginania. Zastosowano model w ramach stochastycznej sprężysto-plastyczności i nielokalnego osłabienia. Belki były geometrycznie podobne. Wyniki porównano z modelem efektu skali Bazanta.
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A model of stealth maritime object having some innovative solutions concerning the object form, structure and materials.
Open Research DataThe aim of the project is to work out a model of the stealth maritime object which will have innovative solutions concerning the object form, structure and materials. These solutions should enable a modification of combinations of the object features defining the object stealth characteristics (difficulty of the object detection in the water). It is...
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Tubular House - Form Follows Technology, Concrete Shell Structure with Inner Thermal Insulation
PublicationThe aim of this paper is the theoretical analysis of the possibilities and limitations of using an unconventional technology and the original architectural form stemming from it – the building with external construction and internal insulation. In Central European climatic conditions, the traditional solution for the walls of heated buildings relies on using external thermal insulation. This stems from building physics: it prevents...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublicationSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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High-conducting Bi4V2-xFexO11-δ ceramics containing Fe2O3 nanocrystals: Structure and properties
PublicationThe topography, structure, thermal, magnetic, and electrical properties of Bi4V2-xFexO11-δ ceramics substituted with x = 0.5 and 0.7 Fe were studied. The microscope analysis showed the presence of iron-rich nanocrystals formed on the Bi-Fe-V-O grains. The X-ray diffraction studies confirmed that grains are built mostly of tetragonal Bi4V1.5Fe0.5O10.5 phase. Thermal properties analysis showed an order-disorder type γ ↔ γʹ phase...
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Mechanical Design, Construction and Control of a Lower Extremity Exoskeleton Robot Prototype with a new structure in the form of three-wheeled Mobile robot
PublicationIn this paper, mechanical design, dynamic modeling, construction and Fuzzy computed torque control of a lab prototype of lower extremity exoskeleton robot with a new structure in the form of three-wheeled Mobile robot is presented. One of the most important applications of next generation of lower extremity exoskeleton robot is usability as smart vehicle. In order to autonomously moving of this robot which is the foundation...
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Architecture of security and application layer structure of radio system for monitoring and acquisition of data from traffic enforcement cameras
PublicationThe study presents architecture of security and application layer structure of Radio System for Monitoring and Acquisition of Data from Traffic Enforcement Cameras. It also provides general assumptions concerning the range of the system as well as its modules and application components.
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Study on the Structure-Property Dependences of Rigid PUR-PIR Foams Obtained from Marine Biomass-Based Biopolyol
PublicationThe paper describes the preparation and characterization of rigid polyurethane-polyisocyanurate (PUR-PIR) foams obtained with biopolyol synthesized in the process of liquefaction of biomass from the Baltic Sea. The obtained foams differed in the content of biopolyol in polyol mixture (0–30 wt%) and the isocyanate index (IISO = 200, 250, and 300). The prepared foams were characterized in terms of processing parameters (processing...
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublicationThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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Structure of the register of immovable monuments in terms of the type of architectural monuments by voivodeship - comparison of 2003 and 2024
Open Research DataThe following dataset compares the structure of the register of immovable monuments in Poland regarding the type of architectural monuments by voivodeship for 2003 and 2024. The dataset has been compiled based on the data in the Report analysing the state of immovable monuments (the report was prepared in 2004 based on data collected by provincial conservators...
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Effect of hydroxylated soybean oil and bio-based propanediol on the structure and thermal properties of synthesized bio-polyurethanes
PublicationThe aim of this work was to obtain bio-polyurethanes using synthetic compounds and bio-components, i.e. bio-glycols. Bio-polyurethanes were prepared by means of the prepolymer method. Prepolymers were synthesized from 4,4′-diphenylmethane diisocyanate (MDI) and a polyol mixture containing 75% by weight of commercial polyether and 25% by weight of hydroxylated soybean oils (H2 or H3), the latter being obtained in the reaction with...
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Structure of the register of immovable monuments by date of individual objects – comparison of 2017 and 2024
Open Research DataThe register of monuments is the primary form of monument protection. The register for monuments in the voivodeship is kept by the voivodeship conservator of monuments in the form of separate books for immovable (book A), movable (book B), and archaeological (book C) monuments. Entries in the register of monuments are made upon application by the owner...
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Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublicationIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Green thermoplastic poly(ether-urethane)s – synthesis, chemical structure and selected properties investigation
PublicationThis work aimed to characterize the effect of the monomers chemical structure on the selected properties of the green thermoplastic poly(ether-urethane)s. During synthesis two types of polyether biopolyols, 4,4′-diphenylmethane diisocyanate and bio-based 1,3-propanediol were employed. Materials were synthesized with the use of two step method and two different prepolymers, which were mixed together in equimolar quantities. Obtained...
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Fe local structure in Pt-free nitrogen-modified carbon based electrocatalysts: XAFS study
PublicationThe paper presents a new results on the bonding environment (coordination number and geometry) and on oxidation states of Fe in nitrogen-modified Fe/C composites used as Pt-free catalysts for oxygen reduction in Direct Hydrogen Fuel Cells. Starting from glucose or fructose, two catalysts displaying different electrochemical performance were prepared and studied in the form of pristine powder and thin catalytic layer of electrode...
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IFAC Conference on System Structure and Control
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From Structure to Luminescent Properties of B2O3-Bi2O3-SrF2 Glass and Glass-Ceramics Doped with Eu3+ Ions
PublicationGlass-ceramics with the composition B2O3 -Bi2O3 -SrF2 were synthesized by the conventional melt-quenching technique and subsequent crystallization of the parental glasses. The temperature at which the ceramization was carried out was selected based on differential scanning calorimetry (DSC) analysis. The structure of the studied materials and the formation of SrF2 nanocrystals were confirmed by the Fourier-transform infrared spectroscopy...
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Structure and hyperfine interactions in Bi1−xNdxFeO3 solid solutions prepared by solid-state sintering
PublicationThe series of polycrystalline ceramic powders, Bi1xNdxFeO3 (x = 0.11) was successfully synthesized by mixed oxide method followed by pressureless sintering. X-ray diffraction and Mössbauer spectroscopy were used as complementary methods to study structure and hyperfine interactions of the samples. It was found that with an increase of Nd content, within the range of x = 0.20.3 a structural phase transition from rhombohedral to...
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Straightening of ship hull structure made of 316L stainless steel - tensile test of water cooled materia
Open Research DataThe AISI 316L type steel belongs to the group of chromium-nickel stainless steels. They are determined according to European standards as X2CrNiMo17-12-2 and belong to the group of austenitic stainless steels. Steels of this group are used for elements working in seawater environments, for installations in the chemical, paper, and food, industries,...
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Straightening of ship hull structure made of 316L stainless steel - tensile test of naturally cooled material
Open Research DataThe AISI 316L type steel belongs to the group of chromium-nickel stainless steels. They are determined according to European standards as X2CrNiMo17-12-2 and belong to the group of austenitic stainless steels. Steels of this group are used for elements working in seawater environments, for installations in the chemical, paper, and food, industries,...
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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...
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Structure of the register of immovable monuments in terms of the number of large-scale monuments by voivodeship – comparison of 2003 and 2024
Open Research DataThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of large-scale monuments by voivodeship for 2003 and 2024. In 2003, the large-scale monuments accounted for only 1.4% of all the immovable monuments. However, in 2024, their number has more than doubled, indicating significant growth.
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The analysis of the influence of the corrosion protection method of selected steel elements on the steel structure life cycle costs
PublicationSteel products are widely used in the construction for the performance of essential and additional elements of engineering structures. They are characterized by high tensile strength, compression and bending, the structure homogeneity, the possibility of assembly regardless of the season and climatic conditions, ease of processing and the possibility of almost any shape. The main disadvantage of steel structures is their high susceptibility...
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
PublicationThe increasing interest in polyurethane materials has raised the question of the environmental impact of these materials. For this reason, the scientists aim to find an extremely difficult balance between new material technologies and sustainable development. This work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties...
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Simulation of fluid structure interaction in a novel design of high pressure axial piston pump
PublicationA novel type of an axial, piston-driven high pressure hydraulic pump with variable capacity marks a significant improvement in the area of the hydraulic machinery design. Total discharge from hydrostatic forces eliminates a need for a servomechanism, thus simplifying operation, reducing weight and introducing the possibility of the pump displacement control by computer. PWK-type pumps, invented in the Gdansk University of Technology,...
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The effect of Sr and Mg substitutions on structure, mechanical properties and solubility of fluorapatite ceramics for biomedical applications
PublicationIonic substitutions play important role in the modifications of biological apatites. Recently, attention has been focused on the co-doping effects on the functional properties of apatite-based biomaterials. In this research work, the dense samples of fluorapatites, Ca10(PO4)6F2 and Ca8MgSr(PO4)6F2, were produced after sintering at 1250 °C for 6 h in air. Structural characterization carried out with XRD, IR, Raman and SEM, confirmed...
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Effect of Nb and Al on in vitro dissolution behavior and structure of Na2O-MgO CaO-P2O5 glasses
PublicationIn vitro dissolution, structure, and thermal properties of the glass series Na2O-MgOsingle bondCaOsingle bondNb2O5 -Al2O3-P2O5 were studied. The dissolution behavior in phosphate-buffered saline (PBS) confirmed the potential bioactive properties of tested glasses. The dissolution process was found to depend on the Al, Nb, and Mg contents. Al, respectively, suppresses the Nb and accelerates the Mg release process from the glasses....
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Chemical structure, thermal and mechanical characterization of bio-based polyurethane composites filled with microcrystalline cellulose
PublicationOver the past several decades, the interest in replacing the synthetic components used in the production of polymers and composites with their natural counteparts has been growing. Biocomposites belong to the group of materials produced with the use of renewable raw materials. There has been a recent surge of interest in the industrial applications of composites containing natural fibres reinforced with biopolymers. Biopolymers...
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Polypropylene structure alterations after 5 years of natural degradation in a waste landfill
PublicationUp to 25% of plastic waste in Europe is still disposed of in landfills, despite recycling efforts. The plastic waste in the landfill plot may be exposed both to abiotic and biotic degradation processes, although it is thought that most of the plastic materials tend to be resistant to biodegradation or biodeterioration even after a long time. To verify if polypropylene (PP) can undergo the process of short-term biodegradation and...
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublicationA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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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...
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Modification of cellulosic filler with diisocyanates – volatile organic compounds emission assessment and stability of chemical structure over time
PublicationThis paper investigated the impact of type and content of diisocyanate on the structure of modified cellulose fillers. Four the most popular isocyanates were applied – isophorone, hexamethylene, toluene and methylene diphenyl diisocyanate – at loadings of 1–15 wt%. Chemical structure, and its short-term storage stability, were investigated for eight weeks. Moreover, the main volatile organic compounds detected during modification,...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublicationThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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"Creating a numerical model of noise conditions based on the analysis of traffic volume changes in cities with low and medium structure.
PublicationThe subject of this research study is to analyze noise conditions of the selected area in the city of Gdańsk using data related to traffic volume changes during a day. This is because daily distribution of noise levels is much more helpful for noise control and reduction than traditional maps with Lden levels indicated. Calculations are made with the use of a numerical model developed at the Gdansk Univ. of Technology and implemented...
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The effect of calcination temperature on structure and photocatalytic properties of Au/Pd nanoparticles supported on TiO2
PublicationBimetallic nanoparticles, composed of two different metal elements, can exhibit peculiar electronic, optical, and catalytic or photocatalytic properties that are absent in the corresponding monometallic nanoparticles. We show the effect of calcination temperature (from 350 to 700°C) on the structure and the photocatalytic properties of Au/Pd-modified TiO2. The composition of the bimetallic Au/Pd nanoparticles in relation to their...