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Wyniki wyszukiwania dla: MULTIFUNCTIONAL ENERGY STORAGE MATERIALS NANOSTRUCTURED MATERIALS BAND GAP TRANSFER LEARNING AB INITIO CALCULATIONS
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Poland’s energy dependence - economic context
Dane BadawczePoland does not have vast resources of non-renewable energy and no nuclear power plant, therefore the issue of the energy dependence of the state, which affects the level of energy security of the country, is an extremely important factor. It depends on both the volume of imports of energy raw materials and the policy of diversification of sources of...
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Stability analysis of a dike constructed of anthropogenic materials
PublikacjaNumerical analyses of stability are presented for a hypothetical dikes constructed of dredged materials and bottom ash, in varying proportions. The paper is related to the international research project DredgDikes, which focused on the use of anthropogenic materials in dikes construction and flood protection. The aim of this project was to investigate the possibility of using anthropogenic materials from rivers and sea dredging...
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Monika Wilamowska-Zawłocka dr hab. inż.
OsobyDr hab. inż. Monika WILAMOWSKA-ZAWŁOCKA jest absolwentką Wydziału Chemicznego Politechniki Gdańskiej. Studia doktoranckie ukończyła w 2011 r., następnie odbyła roczny staż na Technicznym Uniwersytecie w Darmstadt w Niemczech. Pracuje w Politechnice Gdańskiej od 2013 r., od 2019 r. na stanowisku profesora uczelni. Specjalność –materiały elektrodowe w zastosowaniu do ogniw litowo-jonowych, sodowo-jonowych, kondensatorów elektrochemicznych...
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Does the low optical band gap of yellow Bi3YO6 guarantee the photocatalytical activity under visible light illumination?
PublikacjaBi3YO6, which is known as an ionic conductor, was tested here as an electrode and photoanode in contact with aqueous electrolytes. Bi3YO6 was deposited onto the Pt substrate and the such prepared electrode was polarized in various aqueous electrolytes. The optical energy band gap of the material equal to 1.89 eV was determined using the Kubelka-Munk function resulting from the UV-Vis spectrum (allowed indirect transition) and also...
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ADVANCES IN MATERIALS SCIENCE EDITORIAL ON THE JOURNAL'S 20th ANNIVERSARY
PublikacjaEditorial on the occasion of the 20th anniversary of Advances in Materials Science journal.
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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LattE- first-principles lattice energy calculations
PublikacjaCrystal engineering is currently attracting much interest. Its aim is to create materials of predefined properties fulfilling the requirements imposed by the applications. There are several parameters describing crystal structures, but the most important one is probably the energy of a crystal lattice. It is the energy released by the system when crystalline solid is formed out of molecules or ions in gaseous phase. Approximate...
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Anna Lisowska-Oleksiak prof. dr hab.
OsobyAnna Lisowska-Oleksiak, born in 1952, has been working at GUT since 1977. Currently is employed at the Faculty of Chemistry as a full professor. She was employed as a research assistant at the University of St Andrews in the group of C. A. Vincent and P.G. Bruce (1991-1994). She completed a two-month research internship in CEA Grenoble (2011). Anna Lisowska-Oleksiak obtained her MSc in chemistry at Nicolaus Copernicus University...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Novel Class of Proton Conducting Materials—High Entropy Oxides
PublikacjaHere, for the first time, we present data on proton conductivity of high-entropy, single-phase perovskites. The BaZr0.2Sn0.2Ti0.2Hf0.2Ce0.2O3−δ, BaZr0.2Sn0.2Ti0.2Hf0.2Y0.2O3−δ, BaZr1/7Sn1/7Ti1/7Hf1/7Ce1/7Nb1/7Y1/7O3−δ, and BaZr0.15Sn0.15Ti0.15Hf0.15Ce0.15Nb0.15Y0.10O3−δ single-phase perovskites were synthesized. Before electrical measurements, materials were characterized using X-ray diffraction (XRD), scanning electron microscopy...
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Applied Mechanics and Materials
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublikacjaN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Underwater Processing of Materials
PublikacjaEditorial do SI
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ENERGY STORAGE IN COMPRESSED AIR – SOLUTION SUPPORTING RENEWABLE ENERGY SOURCES
PublikacjaThis article presents a brief description of a power system, the current national power system daily load, the use of wind power as a renewable energy source and its share in the national load. It also discusses the methods for storing energy, their characteristics and possible solutions. The power storage and generation solution proposed in the article is based on the collaboration between a gas turbine and an air storage system....
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Manufacturing Parameters, Materials, and Welds Properties of Butt Friction Stir Welded Joints–Overview
PublikacjaThe modern and eco-friendly friction stir welding (FSW) method allows the combination of even such materials that are considered to be non-weldable. The development of FSW technology in recent years has allowed a rapid increase in the understanding of the mechanism of this process and made it possible to perform the first welding trials of modern polymeric and composite materials, the joining of which was previously a challenge....
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ENVIRONMENTALLY FRIENDLY MATERIALS IN ARCHITECTURE � MODERN TRENDS AND DEVELOPMENT DIRECTIONS
PublikacjaFor a long time the interest in environmentally friendly materials in architecture is no longer limited to the use of renewable and natural substances such as wood, stone, straw, or reusable materials, such as metals or glass. Today the so-called naturals and the materials compatible with the idea of sustainability constantly appear on the market in new forms. Increasing awareness of the necessity to limit the building sector’s...
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Reactions of parylenes with double bonds: An ab initio study
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Deep Learning: A Case Study for Image Recognition Using Transfer Learning
PublikacjaDeep learning (DL) is a rising star of machine learning (ML) and artificial intelligence (AI) domains. Until 2006, many researchers had attempted to build deep neural networks (DNN), but most of them failed. In 2006, it was proven that deep neural networks are one of the most crucial inventions for the 21st century. Nowadays, DNN are being used as a key technology for many different domains: self-driven vehicles, smart cities,...
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Shape Memory Polyurethane Materials Containing Ferromagnetic Iron Oxide and Graphene Nanoplatelets
PublikacjaIntelligent materials, such as memory shape polymers, have attracted considerable attention due to wide range of possible applications. Currently, intensive research is underway, in matters of obtaining memory shape materials that can be actuated via inductive methods, for example with help of magnetic field. In this work, an attempt was made to develop a new polymer composite—polyurethane modified with graphene nanoplates and...
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ACS Applied Energy Materials
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Metal doped TiO2 decorated carbon nanostructured materials as an emerging photocatalysts for solar fuels production
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New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublikacjaIn this work, we present our discovery and characterization of a new kagome prototype structure, KV3Sb5. We also present the discovery of the isostructural compounds RbV3Sb5 and CsV3Sb5. All materials exhibit a structurally perfect two-dimensional kagome net of vanadium. Density-functional theory calculations indicate that the materials are metallic, with the Fermi level in close proximity to several Dirac points. Powder and single-crystal...
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Project of hip joint endoprothesis for an individual patient with materials selection
PublikacjaThis work includes the hip replacement design, based on the patient's medical records, the description of creation process and materials used for individual components.
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Biopolymers in designing modern antimicrobial medical materials. Part I. Biopolymer medical materials - collagen, chitosan
PublikacjaThe article is a review of the literature concerning the possible use of biopolymers for the preparation of dressings with antimicrobial activity. Authors show the potential of biopolymers: collagen and chitosan - which have the ability to immobilize and control the release of various active compounds - for providing the appropriate antibacterial, bacteriostatic and wound healing properties. Types of threats, for which the dressing...
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Silicon Oxycarbide-Graphite Electrodes for High-Power Energy Storage Devices
PublikacjaHerein 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...
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Influence of Storage Time and Temperature on the Toxicity, Endocrine Potential, and Migration of Epoxy Resin Precursors in Extracts of Food Packaging Materials
PublikacjaThe aim of the present study was to establish a standard methodology for the extraction of epoxy resin precursors from several types of food packages (cans, multi-layered composite material, and cups) with selected simulation media (distilled water, 5% ethanol, 3% dimethyl sulfoxide, 5% acetic acid, artificial saliva) at different extraction times and temperatures (factors). Biological analyses were conducted to determine the acute...
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Journal of Materials Chemistry A
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Materials Science & Engineering C-Materials for Biological Applications
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Band engineering of BiOBr based materials for photocatalytic wastewater treatment via advanced oxidation processes (AOPs) – A review
PublikacjaSemiconductor based photocatalysts have been an efficient technology for water and wastewater remediation, addressing the concepts of green chemistry and sustainable development. Owing to narrow and suitable band structure, BiOBr is a promising candidate for efficient wastewater treatment via photocatalysis. Enhancement of photocatalytic properties can be obtained by various techniques like doping, element rich strategy, facet...
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N-doped carbon materials as electrodes for highly stable supercapacitors
PublikacjaThis article reports a strategy to use nitrogen-doped carbon materials as electrodes for supercapacitors. Depending on the carbon precursor, the porous structure is changed with specific surface area reached up to 2270 m2 g−1. The capacitance of carbon materials used as electrodes is related strictly to pore size. The microstructure and nitrogen functionalities enable a high capacitance (327 F g−1) and cycle durability. The nanoporous...
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Nuclear Materials and Energy
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Materials Today Energy
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Energy & Environmental Materials
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Materials science. Quantum particle approach. 2022.
Kursy Onlinequantum methods for materials and molecular modeling.
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Olgun Aydin dr
OsobyOlgun Aydin finished his PhD by publishing a thesis about Deep Neural Networks. He works as a Principal Machine Learning Engineer in Nike, and works as Assistant Professor in Gdansk University of Technology in Poland. Dr. Aydin is part of editorial board of "Journal of Artificial Intelligence and Data Science" Dr. Aydin served as Vice-Chairman of Why R? Foundation and is member of Polish Artificial Intelligence Society. Olgun is...
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Simulation of the Dynamics of Renewable Energy Sources with Energy Storage Systems
PublikacjaThe intermittency of renewable energy sources (RES) constitutes a challenge for effective power system control. Fossil-fuel-based units offering ancillary power services to meet the short-term power imbalance are a financial and environmental burden for the society. Energy storage systems (ESS) can be the solution in view of the electricity market development and growing environmental concern. The major questions are, in what circumstances...
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Advances in Functional Materials Summer School 2023
Kursy OnlineOur summer school on “Advances in Functional Materials” aims to bring together young scientists (Ph.D. and MSc students) with renowned specialists in materials engineering. Experts from academia, research units, and industry will deliver lectures, tutorials, and laboratory classes so that you can practice what you have learned. We divided the program into five main thematic topics: 1) Superconducting materials, 2) Additive manufacturing, 3)...
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Hybrid energy storage forelectric multiple units to operate at the partially electrified line Gdynia -Hel
PublikacjaThe article presents calculations enabling the selection of an on-board energy storage device to replace diesel-powered trains with modern storage multiple units on the example railway line Gdynia Główna -Hel. The pioneering and currently used storage electric multiple units, mainly in Europe, were presented. The condensed results of the inventory of the line in question, including the technical condition...
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Materials Science -- Classical Particle Approach (2022)
Kursy OnlineThis is the course webpage for Materials Science -- Classical Particle Approach.
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Evaluation of cathode materials for electrochemical photocatalyst deposition
PublikacjaElectrochemical deposition of photocatalyst, especially TiO2, onto several cathode materials was investigated and evaluated. The deposited films were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectrometer (EDX) and electrochemical measurements. Photocatalytic activity was determined by the decomposition of cyclohexane in air by irradiation with ultraviolet light emitting diodes. It was found that...
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Computer modeling and design of materials 2022/2023
Kursy OnlineComputer modeling and design of materials, kierunek: Nanotechnologia, specjalność: Mathematics for new materials design, II stopień, semestr 3
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ENVIRONMENTAL ASSESSMENT OF SOLAR CELL MATERIALS
PublikacjaIn today’s world, fossil fuels, including coal, oil, and gas, are the primary energy sources from which electricity is obtained. As they are exhaustible and their exploitation has a negative impact on the natural environment, they should be, at least partially, replaced by renewable energy sources. One of these sources is solar energy. The use of solar energy releases no CO2, SO2, or NO2 gases, and does not contribute to global...
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CAES – Energy storage providing stability for national power system
PublikacjaThis paper presents a short characteristics of the power system. It also describes various types of energy storage technologies. The suggested solution of accumulation and generation of electric power is based on the cooperation of gas turbine with Compressed Air Storage Energy systems – CAES. This analysis describes also various types of cooperation of CAES and renewable sources of energy, particularly wind power systems.
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2022-2023 - Strenght of materials towards applications, PG_00053661
Kursy OnlineThe course is mainly dedicated to the DAPE Students. From the theoretical point of view the course consists of the following problems to be discussed during the lectures and exercises: -fundamentals of strength of materials -basic structures and environment -loads on structures -strength of materials: tension, stress, analysis of stress and strain, bending moments and shearing forces, longitudinal and shearing stress in beams,...
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Cationic and anionic daughters of AlOH and GaOH. An ab initio study
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Analysis of inductive power transfer systems for variable air gap and voltage supply frequency
PublikacjaThe paper describes an IPT system, by which electrical energy may be transmitted through a large air gap between coils without electrical connection. It presents theoretical and simulation analysis of IPT, which allows for supplying a receiver in the conditions of slow, in relation to the dynamics of power supply, changes in dimension of the air gap. The influence of frequency characteristics of the system on the possible selection...
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Properties of LiMnBO3 glasses and nanostructured glass-ceramics
PublikacjaPolycrystalline LiMnBO3 is a promising cathode material for Li-ion batteries. In this work, we investigated the thermal, structural and electrical properties of glassy and nanocrystallized materials having the same chemical composition. The original glass was obtained via a standard melt-quenching method. SEM and 7Li solid-state NMR indicate that it contains a mixture of two distinct glassy phases. The results suggest that the...
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Nano-engineered diamond-based materials for supercapacitor electrodes: A review
PublikacjaOwing to the popularity of carbon-based supercapacitors, diamond has also been examined as a potential candidate with unique advantages such as a wide electrochemical potential window and stable capacitive behavior in both aqueous and non-aqueous electrolytes. Moreover, its chemical stability in harsh environments at extreme applied potential and current provides rare opportunities for designing new supercapacitors. Owing to the...
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Materials Science - classical particle approach 2023/2024
Kursy OnlineComputer modeling and design of materials, kierunek: Nanotechnologia, specjalność: Mathematics for new materials design, II stopień, semestr 3