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Search results for: AB INITIO CALCULATIONS,ASTROCHEMISTRY,POTENTIAL ENERGY SURFACES
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The luminescence study of Sc2(1–x)Ga2xO3:Cr3+/4+ coumpounds
Open Research DataThe growing interest in the use of near-infrared (NIR) radiation for spectroscopy, optical communication, and medical applications spanning both NIR-I (700–900 nm) and NIR-II (900–1700 nm) has driven the need for new NIR light sources. NIR phosphor-converted light-emitting diodes (pc-LEDs) are expected to replace traditional lamps mainly due to their...
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PTD4 Peptide Increases Neural Viability in an In Vitro Model of Acute Ischemic Stroke
PublicationIschemic stroke is a disturbance in cerebral blood flow caused by brain tissue ischemia and hypoxia. We optimized a multifactorial in vitro model of acute ischemic stroke using rat primary neural cultures. This model was exploited to investigate the pro-viable activity of cell-penetrating peptides: arginine-rich Tat(49–57)-NH2 (R49KKRRQRRR57-amide) and its less basic analogue, PTD4 (Y47ARAAARQARA57-amide). Our model included glucose...
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Tailoring diamondised nanocarbon-loaded poly(lactic acid) composites for highly electroactive surfaces: extrusion and characterisation of filaments for improved 3D-printed surfaces
PublicationA new 3D-printable composite has been developed dedicated to electroanalytical applications. Two types of diamondised nanocarbons - detonation nanodiamonds (DNDs) and boron-doped carbon nanowalls (BCNWs) - were added as fillers in poly(lactic acid) (PLA)-based composites to extrude 3D filaments. Carbon black served as a primary filler to reach high composite conductivity at low diamondised nanocarbon concentrations (0.01 to 0.2...
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Heavy Metals in Sediments of Urban Streams: Contamination and Health Risk Assessment of Influencing Factors
PublicationSediments of two urban streams in northern Poland outflowing to the Baltic Sea were assessed to explain the spatial variation in relation to urbanization level of the catchment, the role of retention tanks (RTs) and identification of pollution level. During the 3 month period of investigation sediment samples were collected from the inflow (IN) and outflow (OUT) of six RTs located on streams for flood protection. Six heavy metals...
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Comparison of Tire Rolling Resistance Measuring Methods for Different Surfaces
PublicationThe rolling resistance of car tires is one of the most important parameters characterizing tires today. This resistance has a very significant contribution to the energy consumption of wheeled vehicles. The climate crisis has forced tire and car manufacturers to place great emphasis on the environmental impact of their products. Paradoxically, the development of electric vehicles has led to an even greater importance of rolling...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Novel approach to modeling spectral-domain optical coherence tomography with Monte Carlo method
PublicationNumerical modeling Optical Coherence Tomography (OCT) systems is needed for optical setup optimization, development of new signal processing methods and assessment of impact of different physical phenomena inside the sample on OCT signal. The Monte Carlo method has been often used for modeling Optical Coherence Tomography, as it is a well established tool for simulating light propagation in scattering media. However, in this method...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublicationThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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A Concept for Safe and Less Expensive Acceleration of a Marine Steam Turbine Start-up
PublicationThis paper analyses the issue of accelerated start-up of a marine steam turbine, which is an important problem because the start-up of a steam machine involves the combustion of fuel that is not transformed into useful energy. To find novel technologies that offer improvements in this aspect is essential due to restrictions on reducing ship emissions. Thus, the shorter the start-up time, the better for the environment and economy....
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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PREDICTION OF SHIP MOTIONS IN IRREGULAR WAVES BASED ON RESPONSE AMPLITUDE OPERATORS EVALUATED EXPERIMENTALLY IN NOISE WAVES
PublicationThe most common methods for predicting ship roll motions in a specified sea state are direct measurements of motions in a representative irregular wave realisation (time domain) or calculations of motions from response amplitude operators (RAOs) in the frequency domain. The result of the first method is valid only for the tested sea state, whilst the second method is more flexible but less accurate. RAO-based predictions are calculated...
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Novel analysis methods of dynamic properties for vehicle pantographs
PublicationTransmission of electrical energy from a catenary system to traction units must be safe and reliable especially for high speed trains. Modern pantographs have to meet these requirements. Pantographs are subjected to several forces acting on their structural elements. These forces come from pantograph drive, inertia forces, aerodynamic effects, vibration of traction units etc. Modern approach to static and dynamic analysis should...
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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...
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Hydrothermal modification of TiO2 nanotubes in water and alkali metal electrolytes (LiNO3, NaNO3, KNO3) – Direct evidence for photocatalytic activity enhancement
PublicationThe influence of hydrothermal annealing (HA) of TiO2 nanotubes (TiO2-NTs) in various baths (H2O, LiNO3, NaNO3, KNO3 performed for 4 h, 24 h, 64 h), on their photocatalytic and photoelectrocatalytic properties, was studied. The use of electrolytes was to enable the monitoring of photoactivity changes as a result of the expected impact on the population of hydroxyl groups on the surface. The assumption turned out to be correct and...
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Performance and emission characteristics of diesel engines running on gaseous fuels in dual-fuel mode
PublicationConventional fossil fuels are being substituted with alternative green fuels because of their greenhouse gas emissions and pollution problems, which pose a severe threat to the environment. Several studies have reported the usage of biodiesel and gaseous fuels in both single and dual-fuel modes. Gaseous fuels such as producer gas, biogas, syngas, and hydrogen produced from renewable biomass could potentially be used along with...
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Integrating conventional nitrogen removal with anammox in wastewater treatment systems: Microbial metabolism, sustainability and challenges
PublicationThe various forms of nitrogen (N), including ammonium (NH4+), nitrite (NO2−), and nitrate (NO3−), present in wastewaters can create critical biotic stress and can lead to hazardous phenomena that cause imbalances in biological diversity. Thus, biological nitrogen removal (BNR) from wastewaters is considered to be imperatively urgent. Therefore, anammox-based systems, i.e. partial nitrification and anaerobic ammonium oxidation (PN/anammox)...
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Highly crystalline colloidal nickel oxide hole transport layer for low-temperature processable perovskite solar cell
PublicationHighly crystalline NiOX usually requires high annealing temperature (>300 °C) which is incompatible with flexible substrate and might consume high amount of energy. Herein, we demonstrate a facile emulsion process to synthesize highly crystalline, low temperature deposition (<150 °C) and solution processable NiOx nanoparticles (NPs) as a hole transport layer for the perovskite solar cells (PVSCs). A novel surfactant of tetramethylammonium...
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Kinetics of the Organic Compounds and Ammonium Nitrogen Electrochemical Oxidation in Landfill Leachates at Boron-Doped Diamond Anodes
PublicationElectrochemical oxidation (EO) of organic compounds and ammonium in the complex matrix of landfill leachates (LLs) was investigated using three different boron-doped diamond electrodes produced on silicon substrate (BDD/Si)(levels of boron doping [B]/[C] = 500, 10,000, and 15,000 ppm—0.5 k; 10 k, and 15 k, respectively) during 8-h tests. The LLs were collected from an old landfill in the Pomerania region (Northern Poland) and were...
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Graphene oxide, reduced graphene oxide and composite thin films NO2 sensing properties
PublicationA graphene oxide (GO), reduced graphene oxide (RGO) and poly(3,4-ethylenedioxytiophene)- reduced graphene oxide (PEDOT-RGO composite) gas sensors were successfully fabricated using an electrodeposition method. The electrodeposition was carried out in aqueous GO dispersions. In order to obtain RGO and PEDOT-RGO, the electrochemical reduction of GO and PEDOT-GO was carried out in 0.1 M KCl at constant potential of −0.85 V. The GO, RGO...
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Hydrogen fuel cell power supply for hybrid elelectric multiple unit train
PublicationIn European countries, electrified routes amount for 40% to 65% of the total railway networks length. Some of those routes are only partially electrified, and construction of a catenary network might not be viable on all routes. Consequently, operators run diesel trains under catenary or require both an electric and diesel vehicle, increasing costs of operation. Dual-mode vehicles exist, but they are mostly equipped with diesel...
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Coffee silverskin as a potential bio-based antioxidant for polymer materials: Brief review
PublicationCoffee silverskin is one of the by-products generated by the coffee industry. Although it is not the most burdensome one, because it stands only for ~4.2 wt % of coffee, it seems like an auspicious raw material for industrial processes. Coffee silverskin is characterized by a relatively low moisture content of ~5–7%, so it often does not require quite energy-consuming drying processes. The chemical composition of coffee silverskin,...
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On weak solutions of the boundary value problem within linear dilatational strain gradient elasticity for polyhedral Lipschitz domains
PublicationWe provide the proof of an existence and uniqueness theorem for weak solutions of the equilibrium problem in linear dilatational strain gradient elasticity for bodies occupying, in the reference configuration, Lipschitz domains with edges. The considered elastic model belongs to the class of so-called incomplete strain gradient continua whose potential energy density depends quadratically on linear strains and on the gradient of...
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Koncepcja i modelowanie wysokoobrotowego napędu elektrycznego turbosprężarki. Zastosowanie w ogniwach paliwowych pojazdów samochodowych
PublicationAbstract: Electrical vehicles powered by hydrogen fuel cells become a potential alternative to conventional vehicles. The polymer electrolyte membrane (PEM) are typical fuel cells used in fuel cell vehicle (FCV). The global efficiency of a PEM fuel cell stack is greatly impacted by the use of a motorized compressor for the air supply system. The motor-compressor set-up may consume up to 19 % of the energy supplied by the PEM fuel...
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Influence of Rock Dust Additives as Fine Aggregate Replacement on Properties of Cement Composites—A Review
PublicationConcrete production consumes enormous amounts of fossil fuels, raw materials, and is energy intensive. Therefore, scientific research is being conducted worldwide regarding the possibility of using by-products in the production of concrete. The objective is not only to identify substitutes for cement clinker, but also to identify materials that can be used as aggregate in mortar and concrete productions. Among the potential alternative...
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Advances in analysis, quantification and modelling of N2O emission in SBRs under various DO set points
PublicationNitrous oxide (N2O), considered a major greenhouse gas (GHG) in wastewater treatment plants (WWTPs), is produced during both nitrification and denitrification processes; hence, it needs to be controlled by internal and external strategies. Various factors, such as DO, temperature, and pH, could be incorporated into the mitigation of emissions in WWTPs. In this research, potential operational strategies were investigated in order...
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Elementary analysis and energetic potential of the municipal sewage sludges from the Gdańsk and Kościerzyna WWTPs
PublicationThis paper aims to present municipal sewage sludge (MSS) elementary analysis and energetic potential based on measurement of heat of combustion (higher heating value HHV) and calculation of calorific values (lower heating value LHV). The analysis takes into the consideration water content in sewage sludge, at different utilization stages, in wastewater treatment plants in Gdańsk Wschód and Kościerzyna – Pomeranian Voivodeship....
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Experimental validation of pressure drop models during flow boiling of R134a – effect of flow acceleration and entrainment
PublicationA crucial step to assure proficient work of power and process apparatus is their proper design. A wide array of those devices operates within boiling or condensation of the working fluid to benefit from high heat transfer rates. Two-phase flows are associated with high heat transfer coefficients because of the latent heat of evaporation and high turbulence level between the liquid and the solid surface. Predicting heat transfer...
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PROBLEMY ZWIĄZANE Z ZASTOSOWANIEM NANOTECHNOLOGII W TERMOIZOLACJI BUDYNKÓW
PublicationBudownictwo i architektura były zawsze ściśle związane z rozwojem technologicznym a ciągły postęp w badaniach nad inżynierią materiałową pozwalał na uzyskiwanie bardziej wydajnych i wytrzymałych materiałów. Dotyczy to nie tylko elementów konstrukcyjnych budynku ale także technologii związanych z jego wykończeniem. Obecnie coraz większą rolę w budownictwie i architekturze odgrywa pojęcie nanotechnologii. Dziedzina nauki, zdawałoby...
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A COMPREHENSIVE REVIEW OF LIFE CYCLE ASSESSMENT AND ENERGY EFFICIENCY IN 3D PRINTING FOR CONSTRUCTION: CURRENT STATE, BENEFITS, LIMITATIONS, AND FUTURE OUTLOOK
PublicationThe agenda of Industry 4.0 strongly affects design and construction at all its phases, and three-Dimensional Printing (3DP) is an essential part of it. The emerging technology has the potential to become a more valid and accepted form of construction. This research is based on a literature review regarding the relationships between the concepts of Life Cycle Assessment (LCA) and energy efficiency for 3DP in construction research...
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On implementation of fibrous connective tissues’ damage in Abaqus software
PublicationConnective fibrous tissues, such as tendons and ligaments, in humans and animals exhibit hyperelastic behaviour. The constitution of the material of these tissues is anisotropic due to the presence of the collagen fibres, where one family of fibres is the typical case. Traumatic events and/or aging may sometimes lead to the damage of the tissue. The study of motion of affected joints or limbs is usually not permitted in vivo. This...
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Production of Biogas from Distillation Residue as a Waste Material from the Distillery Industry in Poland
PublicationIn this paper, the possibility to obtain an alternative source of energy from methane fermentation, catalysed by biomass, has been discussed in detail. As a main substrate, the distillation residue from the distillery industry was taken in the case of mono-fermentation and its co-fermentation with sewage sludge. The results showed that higher biogas and methane production can be obtained in a mono-fermentation process. Fermentation...
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Thermal utilization of meat-and-bone meal using the rotary kiln pyrolyzer and the fluidized bed boiler – The performance of pilot-scale installation
PublicationThermal utilization of meat-and-bone meal (MBM) is subject to stringent regulations that are meant to provide elimination of any potential pathogens. Incineration as well as other possible routes for thermal conversion of MBM are still at the research state. The universal technology was developed that allows to combust various types of waste organic materials, including animal waste, municipal solid waste and sludge, mixed at any...
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Experimental study on polymer mass used to repair damaged structures
PublicationA new method of repairing damaged structures by injecting the cracks with specially designed polymer mass (flexible two-component grout based on polyurethane resin) has been recently proposed. The technique is mainly dedicated to damaged masonries, especially historical structures where minimum intervention is permitted. The cracks are filled with the special injection, forming the flexible joints bonding the disrupted structural...
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Possibility to use engine compression ignition engines in floating power plants marine
PublicationCompression-ignition engines used in ship technology as main propulsion engines are large units reaching even to 50-60 MW. The engines can be used in power industry for electricity generation in a simple or combined steam turbine system in combined heat and power plants. The leading engine in such an arrangement is an internal-combustion piston engine. The main propulsion engines are used in large piston internal-combustion engines...
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Low cost set-up for supercapacitors parameters evaluation
PublicationSupercapacitors are capable to store relatively high amount of energy comparing to its mass. Growing number of these devices applications requires development of new testing methods. Standard methods of evaluation of supercapacitor parameters, as cycling voltammetry, CV, galvanostatic cycling with potential limitation, GCPL, impedance measurements, require equipment of high cost...
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Adsorption behavior and corrosion inhibitive characteristics of newly synthesized cyano-benzylidene xanthenes on copper/sodium hydroxide interface: Electrochemical, X-ray photoelectron spectroscopy and theoretical studies
PublicationElegant process for synthesis of 3-(7H-dibenzo[c,h]xanthen-7-yl)benzaldehyde (3), as new starting material to create a set of novel xanthene analogues, 2-(3-(7H-dibenzo[c,h]xanthen-7-yl)benzylidene)malononitrile (4), 3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylic acid (5), and Ethyl-3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylate (6), was achieved starting with available materials under mild conditions. Various...
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Epoxy/Ionic Liquid-Modified Mica Nanocomposites: Network Formation–Network Degradation Correlation
PublicationWe synthesized pristine mica (Mica) and N-octadecyl-N’-octadecyl imidazolium iodide (IM) modified mica (Mica-IM), characterized it, and applied it at 0.1–5.0 wt.% loading to prepare epoxy nanocomposites. Dynamic differential scanning calorimetry (DSC) was carried out for the analysis of the cure potential and kinetics of epoxy/Mica and epoxy/Mica-IM curing reaction with amine curing agents at low loading of 0.1 wt.% to avoid particle...
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The Staged Combustion of Meat-and-Bone Meal:The Characteristics of Conversion Sub-processes and Large-Scale Process Outputs
Publicationt Organic waste has been playing an increasingly important role in the energy market as those that may support the economies in pursuing towards decarbonization by increasing the share of renewables in the overall energy balance. In this group of alternative fuels, meat-and-bone meals being a post-production waste of the steadily developing meat industry, constitute a considerable proportion. Though they are rich in minerals, their...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublicationDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublicationIn 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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Electrocatalytic performance of oxygen-activated carbon fibre felt anodes mediating degradation mechanism of acetaminophen in aqueous environments
PublicationCarbon felts are flexible and scalable, have high specific areas, and are highly conductive materials that fit the requirements for both anodes and cathodes in advanced electrocatalytic processes. Advanced oxidative modi- fication processes (thermal, chemical, and plasma-chemical) were applied to carbon felt anodes to enhance their efficiency towards electro-oxidation. The modification of the porous anodes results in increased...
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Decreasing CO2 Emissions By Reducing Tire Rolling Resistance
PublicationThe first motor vehicle was built by Nicolas Cugnot almost 250 years ago and since then there has been a continuous process of motor vehicles’ improvements, as well as development of new road pavements. The fuel crisis of the 70s of the 20th century made it clear to vehicle builders that measures should be taken to reduce vehicle fuel consumption and it contributed to an increased interest in electric vehicles. Although significant...
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Optical and photocatalytic properties of rare earth metal-modified ZnO quantum dots
PublicationA series of novel ZnO quantum dots modified with rare earth metals was successfully prepared by a simple sol-gel approach. The effects of types (Eu, Er, Tb, Yb, Ho, La) and amounts (from 0.09 to 0.45 mmol) of lanthanides on the optical properties, structural characterization and photocatalytic activity of ZnO/RE QDs were systematically investigated. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform...
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Advanced Turbine Cycles with Organic Media
PublicationOrganic Rankine Cycle (ORC) power plants have become very popular and have found their applications in systems with renewable sources of energy. So far their overall efficiencies are not very impressive and only for the upper temperature of about 300 °C do they exceed 20%. A drawback of these cycles is the limitation of the cycle upper temperature due to the heat exchanger technology and the materials used. However, it is possible...
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Multi-pathway mechanism of polydopamine film formation at vertically aligned diamondised boron-doped carbon nanowalls
PublicationBoron-doped carbon nanowall (B:CNW) electrodes were used as a platform for studying the electropolymerisation of dopamine. Due to the unique properties of B:CNW, including the fast charge-transfer kinetics and high surface conductivity, a high degree of reversibility of redox reactions was achieved. Three separated redox peaks were observed on voltammograms and attributed to three fundamental reactions in the dopamine polymerisation...
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Quantitative study of free convective heat losses from thermodynamic partitions using Thermal Imaging
PublicationThe following paper presents a simple method of determining the presence, distribution and values of heat losses from external building walls as thermodynamic partitions using a Thermal Imaging Camera (TIC). According to Fourier's equation, the value of heat loss is proportional to the temperature gradient ∂t/∂y|y=0 in air in the y direction perpendicular to the heated surface. Unfortunately, air temperature cannot be measured...
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Quantum entanglement
PublicationAll our former experience with application of quantum theory seems to say that what is predicted by quantum formalism must occur in the laboratory. But the essence of quantum formalism-entanglement, recognized by Einstein, Podolsky, Rosen, and Schrödinger-waited over 70 years to enter laboratories as a new resource as real as energy. This holistic property of compound quantum systems, which involves nonclassical correlations between...
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2D MXene nanocomposites: electrochemical and biomedical applications
PublicationIn recent years, key questions about the interaction of 2D MXene nanomaterials in electrochemical and biomedical applications have been raised. Most research has focused on clarifying the exclusive properties of the materials; however, only limited reports have described the biomedical applications of 2D nanomaterials. 2D MXenes are monolayer atomic nanosheets resulting from MAX phase ceramics. The hydrophilic properties, metallic...
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New light on the photocatalytic performance of NH4V4O10 and its composite with rGO
PublicationSolar-driven photocatalysis has shown great potential as a sustainable wastewater treatment technology that utilizes clean solar energy for pollutant degradation. Consequently, much attention is being paid to the development of new, efficient and low-cost photocatalyst materials. In this study, we report the photocatalytic activity of NH4V4O10 (NVO) and its composite with rGO (NVO/rGO). Samples were synthesized via a facile one-pot...
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MXene-based composites for capacitive deionization – The advantages, progress, and their role in desalination - A review
PublicationMXenes, a novel large family of 2D transition metal carbides, carbonitrides and nitrides are currently a “hot topic” in science due to their several fascinating physical and chemical properties. It follows from a rich diversity of their elemental compositions and chemical functionalities. MXenes can form composites with many substances, including polymers or metal oxides, which allows to effective “tune” MXene characteristics to...