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Experimental and Numerical Investigation of Tensile and Flexural Behavior of Nanoclay Wood-Plastic Composite
PublicationIn this study, the effect of wood powder and nanoclay particle content on composites’ mechanical behavior made with polyethylene matrix has been investigated. The wood flour as a reinforcer made of wood powder was at levels of 30, 40, and 50 wt.%, and additional reinforcement with nanoclay at 0, 1, 3, and 5 wt.%. Furthermore, to make a composite matrix, high-density polyethylene was used at levels of 70, 60, and 50% by weight....
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Carbon nanoarchitectures as high-performance electrodes for the electrochemical oxidation of landfill leachate
PublicationNanomaterials and assemblies of the aforementioned into complex architectures constitute an opportunity to design efficient and selective solutions to wide spread and emerging environmental issues. The limited disposal of organic matter in modern landfills generates extremely concentrated leachates characterised by high concentrations of refractory compounds. Conventional biochemical treatment methods are unsuitable, while advanced...
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Hybrid P3HT: PCBM/GaN nanowire/Si cascade heterojunction for photovoltaic application
PublicationPoly(3-hexylthiophene) (P3HT) and phenyl-C61-butyric acid methyl ester (PCBM) are commonly used for the fabrication of organic photovoltaics (OPV). Efficiency limitations of OPVs could be circumvented by incorporation of inorganic nanostructures into organic blends. Again, integration of organic solar cells with well-developed silicon photovoltaic technology is ultimately desirable. In present work, GaN nanowires with diameters...
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Experimental and Numerical Investigation of Mechanical Properties of Lightweight Concretes (LWCs) with Various Aggregates
PublicationHigh requirements for the properties of construction materials and activities directed at environment protection are reasons to look for new solutions in concrete technology. This research was directed at solutions affecting the reduction of energy consumption and CO2 emissions. The use of lightweight concretes (LWCs) allows one to meet both conditions at the same time. The purpose of the research presented in this paper was to...
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Numerical analysis of vacuum drying of a porous body in the integrated domain
Publicationn the present study, the vacuum drying process of an apple slice is numerically modeled based on a control volume method. Transient two-dimensional Navier– Stokes, energy, moisture, and Luikov equations are solved by numerical coding (Fortran) to simulate the simultaneous heat and mass transfer in the ambient and apple slice, respectively. The privilege of using Luikov's model is that the capillary forces are considered, and a...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Hybrid metal and non-metal activation of Oxone by magnetite nanostructures co-immobilized with nano-carbon black to degrade tetracycline: Fenton and electrochemical enhancement with bio-assay
PublicationElectrochemically synthesized magnetite nanostructures (ESMNPs) as a metal activator and nano-carbon black (NCB) as a non-metal activator were co-immobilized by alginate natural polymer to activate Oxone for the degradation of tetracycline (TC) antibiotic. The formation of sulfate radical was indirectly confirmed during the Oxone/ESMNPs/NCB/alginate process via the addition of scavenging compounds. This study revealed the high...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublicationA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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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...
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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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Preparation and properties of composite coatings, based on carbon nanotubes, for medical applications
PublicationThe coatings based on carbon nanotubes (CNTs) are increasingly developed for their applications, among others, in medicine, in particular for implants in implantology, cardiology, and neurology. The present review paper aims at a detailed demonstration of diferent preparation methods for such coatings, their performance, and relationships between deposition parameters and microstructure and material, mechanical, physical, chemical,...
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublicationTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublicationFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Nitrogen-incorporated boron-doped diamond films for enhanced electrochemical supercapacitor performance
PublicationThe electrochemical (EC) supercapacitor, known for its rapid charging, reliability, and versatile applications, demands optimized electrode characteristics and an understanding of their electrochemical behaviour. Although boron-doped diamond (BDD) holds promise as a supercapacitor electrode, a crucial gap exists in comprehending its material behaviour under specific growth conditions. Here, nitrogen-incorporated BDD (N-BDD) films...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Influence of Ultrasound on the Characteristics of CaP Coatings Generated Via the Micro-arc Oxidation Process in Relation to Biomedical Engineering
PublicationOver the past decade, bone tissue engineering has been at the core of attention because of an increasing number of implant surgeries. The purpose of this study was to obtain coatings on titanium (Ti) implants with improved properties in terms of biomedical applications and to investigate the effect of ultrasound (US) on these properties during the micro-arc oxidation (MAO) process. The influence of various process parameters, such...
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Green monoterpenes based deep eutectic solvents for effective BTEX absorption from biogas
PublicationThe combustion of biogas which contains significant amounts of monoaromatic hydrocarbons, i.e. benzene, ethylbenzene, toluene, and xylene (BTEX) can cause many technological, environmental, and health problems. Therefore, in these studies, a new physical absorption method based on deep eutectic solvents (DES) consisting of monoterpenes and carboxylic acids was developed for BTEX removal. A total of 39 DES were synthesized, of which...
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Possible quadrupole-order-driven commensurate-incommensurate phase transition in B20 CoGe
PublicationThe B20-type cobalt germanide CoGe was investigated by measuring the specific heat, resistivity, and 59Co nuclear magnetic resonance (NMR).We observed a phase transition at TQ = 13.7 K, evidenced by a very narrow peak of the specific heat and sharp changes of the nuclear spin-spin (T −1 2 ) and spin-lattice (T −1 1 ) relaxation rates. The fact that the entropy release is extremely small and the Knight shift is almost independent...
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Evaluation and rationale of the performance of several elastomeric composites incorporating devulcanized EPDM
Publicationthylene Propylene Diene rubber (EPDM), is present in many applications. However, its crosslinked structure makes difficult its recycling. The use of devulcanized EPDM, (dEPDM) as a component of elastomeric composites, is a real possibility to reuse EPDM scraps. In this study, three matrices (natural rubber (NR), styrene butadiene rubber (SBR) and EPDM rubber) have been tested including devulcanized EPDM as a recycled component....
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Properties of an innovative multi-functional finish for the improvement of indoor air quality
PublicationDue to lifestyle changes, people spend most of their time indoors at present; thus, Indoor Air Quality (IAQ) is a matter of utmost importance. Multi-functional and innovative finishes can help to passively improve the IAQ, benefitting the health and comfort of occupants. For this study, reference and pre-mixed commercial mortars are compared to a new multi-functional hydraulic lime mortar for indoor finishes, in which conventional...
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Increasing the conductivity of V2O5-TeO2 glass by crystallization: structure and charge transfer studies
PublicationIn the present paper, V 2 O 5 -TeO 2 glass was prepared by the melt-quenching technique. Crystallization of glass with a vanadium content higher than 35%mol results in an increase in electrical conductivity by a few orders of magnitude and a decrease in activation energy from ~0.40 to ~0.12 eV. In this work, a critical review of existing charge transfer models was presented on the example of V 2 O 5 -TeO 2 glass and glass–ceramics....
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublicationPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Modeling the application of steel slag in stabilizing expansive soil
PublicationThe objective of this study was to evaluate the suitability of steel slag as an additive to the engineering properties of weak clay soil. Different geotechnical laboratory tests were conducted on both stabilized and natural soils. Steel slag (SS) was added at a rate of 0, 5, 10, 15, 20, and 25% to the soil. Specific gravity, grain size analysis, Atterberg limit test, compaction test, free swell, California bearing ratio (CBR),...
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Battery Technologies in Electric Vehicles: Improvements in Electric Battery Packs
PublicationRestrictions on fossil fuels and related environmental pollution issues motivate many organizations and countries to set their focus on electric vehicles (EVs) rather than conventional internal combustion engine vehicles [1], [2]. EVs require an energy storage system to store converted electric power in another form of energy and then reconvert the stored energy to electric power whenever it is required. The energy stored can be...
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Nanodiamonds Doped with Manganese for Applications in Magnetic Resonance Imaging
PublicationNanodiamonds (NDs) are emerging with great potential in biomedical applications like biomarking through fluorescence and magnetic resonance imaging (MRI), targeted drug delivery, and cancer therapy. The magnetic and optical properties of NDs could be tuned by selective doping. Therefore, we report multifunctional manganese-incorporated NDs (Mn-NDs) fabricated by Mn ion implantation. The fluorescent properties of Mn-NDs were tuned...
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Impedimetric sensing of α-amino acids driven by micro-patterned 1,8-Diazafluoren-9-one into titania- boron- doped maze-like nanocarbons
PublicationThe development of impedimetric, non-faradaic label-free sensors for the detection of α-amino acids constitutes a trailblazing technology for the fast and inexpensive quantification of such biomarkers. Since α-amino acids, such as glycine and sarcosine, are basic constituents in biological processes, a variation in their concentration may be an indicator of cardiovascular diseases and metabolic disorders or neurological conditions....
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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublicationThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Biocomposites from recycled resources as candidates for laboratory reference material to validate analytical tools used in organic compounds emissions investigation
PublicationA suitably chosen reference material should meet specific criteria like representing one of the compound classes most commonly occurring in indoor materials as well as having optimal long-term stability during storage and transport to its destination point and having a compact size. The described interdisciplinary pilot research was aimed to develop and characterize a polymer-based candidate for the laboratory reference material...
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Conductive printable electrodes tuned by boron-doped nanodiamond foil additives for nitroexplosive detection
PublicationAn efficient additive manufacturing-based composite material fabrication for electrochemical applications is reported. The composite is composed of commercially available graphene-doped polylactide acid (G-PLA) 3D printouts and surface- functionalized with nanocrystalline boron-doped diamond foil (NDF) additives. The NDFs were synthesized on a tantalum substrate and transferred to the 3D-printout surface at 200 °C. No other electrode...
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Electrochemical oxidation of PFOA and PFOS in landfill leachates at low and highly boron-doped diamond electrodes
PublicationPolyfluorinated alkyl substances (PFASs) may reach landfill leachates (LLs) due to improper waste management. In this study perfluorooctanoate (PFOA) and perfluorooctane sulphonate (PFOS) were used as representatives of PFASs in the decomposition on boron-doped diamond electrodes (BDDs) with high (10k ppm) and low (0.5k ppm) boron doping concentrations. The result shows that although better COD removal efficacies are obtained on...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublicationCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Modeling of Surface Roughness in Honing Processes by UsingFuzzy Artificial Neural Networks
PublicationHoning processes are abrasive machining processes which are commonly employed to improve the surface of manufactured parts such as hydraulic or combustion engine cylinders. These processes can be employed to obtain a cross-hatched pattern on the internal surfaces of cylinders. In this present study, fuzzy artificial neural networks are employed for modeling surface roughness parameters obtained in finishing honing operations. As...
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Environmentally Friendly Fabrication of High-Efficient Fe-ZnO/Citric Acid-Modified Cellulose Composite and the Enhancement of Photocatalytic Activity in the Presence of H2O2
PublicationIn the present study, a novel Fe-ZnO/citric acid-modified cellulose composite (x%Fe-ZnOy% CAC) was synthesized using an environmentally friendly hydrothermal method. The obtained samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV−vis diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FTIR), nitrogen physisorption, and electrochemical and photocurrent density...
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Największe osiedle mieszkaniowe międzywojennego Gdańska - stan obecny i perspektywy zachowania
PublicationZaprezentowane przykłady budynków modernistycznych pochodzą z największego gdańskiego osiedla mieszkaniowego z okresu dwudziestolecia międzywojennego – Osiedla Kościuszki. W analizowanym zespole zabudowy przeważa architektura mieszkaniowa wielorodzinna w zabudowie ciągłej. Chociaż charakteryzuje ją prostota i zharmonizowanie form, to poszczególne grupy budynków tworzące samodzielne podjednostki osiedla różnią się sposobem opracowania...
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Największe osiedle mieszkaniowe międzywojennego Gdańska - stan obecny i perspektywy zachowania
PublicationZaprezentowane przykłady budynków modernistycznych pochodzą z największego gdańskiego osiedla mieszkaniowego z okresu dwudziestolecia międzywojennego – Osiedla Kościuszki. W analizowanym zespole zabudowy przeważa architektura mieszkaniowa wielorodzinna w zabudowie ciągłej. Chociaż charakteryzuje ją prostota i zharmonizowanie form, to poszczególne grupy budynków tworzące samodzielne podjednostki osiedla różnią się sposobem opracowania...
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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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Simulations of freshwater lens recharge and salt/freshwater interfaces using the HYDRUS and SWI2 packages for MODFLOW
PublicationThe paper presents an evaluation of the combined use of the HYDRUS and SWI2 packages for MODFLOW as a potential tool for modeling recharge in coastal aquife rs subject to saltwater intrusion. The HYDRUS package for MODFLOW solves numerically the one-dimensional form of the Richards equation describing water flow in variably- saturated media. The code computes groundwater recharge to or...
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The effect of microemulsion composition on the morphology of Pd nanoparticles deposited at the surface of TiO2 and photoactivity of Pd-TiO2
PublicationA series of microemulsion (ME) system, constituted by different water to surfactant molar ratios (Wo) and oil to surfactant mass ratios (S), have been applied for Pd-TiO2 preparation. The effect of ME properties on the morphology of Pd nanoparticles formed at TiO2 surface and an effect of Pd size and distribution on the surface and photocatalytic properties of Pd-TiO2 were investigated. Microemulsion systems were characterized...
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The application of non-destructive methods in the diagnostics of the approach pavement at the bridges
PublicationThe article presents the possibility of using non-destructive methods of road pavement diagnostics as an alternative to traditional means to assess the reasons for premature cracks adjacent to bridge objects. Two scanning methods were used: laser scanning to measure geometric surface deformation and ground penetrating radar (GPR) inspection to assess the road pavement condition. With the use of a laser scanner, an effective tool...
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Quality assessments of electrochromic devices: the possibleuse of 1/f current noise
PublicationElementy wykorzystujące zjawisko elektrochromizmu, potrafiące zmieniać przezroczystość za pomocą ładowania/rozładowania ładunkiem elektrycznym, wykonano na bazie laminatów pokrytych porowatą strukturą tlenków Ni oraz tlenków Wi-V. Oba laminaty, na które naniesiono przewodzącą warstwę In2O3, przedzielono warstwą elektrolitu. Obserwowano szumy typu 1/f w prądzie I płynącym w trakcie rozładowywania urządzenia. Gęstość widmowa mocy...
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Enhanced photoelectrochemical and photocatalytic performance of iodine-doped titania nanotube arrays
PublicationThe paper discusses the synthesis and performance of iodine doped titania nanotube arrays exhibited under irradiation. The doping procedure was performed as an additional, electrochemical process carried out after formation of nanotube arrays via anodization of Ti substrate. The optical and structural properties were characterized using Raman, UV-vis, photoluminescence and X-ray photoelectron spectroscopy. The surface morphology...
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3D mesoporous α-Co(OH)2 nanosheets electrodeposited on nickel foam: A new generation of macroscopic cobalt-based hybrid for peroxymonosulfate activation
PublicationCobalt-based catalysts with high stability and facile recovery for heterogeneous peroxymonosulfate (PMS) activation are still rather sparse and therefore highly desirable. Herein, 3D mesoporous α-Co(OH)2 nanosheets was created on robust nickel foam (NF) via facile electrodeposition approach at 6 mA/cm2 for only 400 s. Almost complete removal of phenol can be achieved within 7 min with a degradation rate of 0.39 min−1, 2 times higher...
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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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Numerical model for thin liquid film with evaporation and condensation on solid surfaces in systems with conjugated heat transfer
PublicationCondensation and evaporation processes from wetted surfaces are of utmost importance in many technological or industrial applications. In many devices such as home-appliances and air conditioning systems just to name a few, condensation and evaporation processes greatly impact their performance and energy efficiency; The physics of these processes is quite complex, involving conjugate heat transfer among solid–liquid film-gaseous...
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FEM simulations applied to the failure analysis of RC structure under the influence of municipal sewage pressure
PublicationThe paper discusses a failure mechanism of reinforced concrete (RC) structure with steel cover that failed under the influence of municipal sewage pressure. To explain the reasons of failure, in-situ measurements, laboratory experiments and comprehensive Finite Element Method (FEM) computations were performed. Non-destructive in-situ scanning tests were carried out to determine quantity and cover thickness of embedded reinforcement...
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Risk Assessment at Unsignalized Intersections Based on Human-Road-Environment-Vehicle System Applying Fuzzy Logic
PublicationThe constant increase in motorization level and traffic density increases risks due to dangerous situations for road participants. Therefore, assessing the accident level of road network elements has been an urgent task over the past decades. However, existing approaches mainly rely on traffic flow parameters and account for dynamic vehicle characteristics. The research aims to design a model accounting for uncertain factors (weather...
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Towards sustainable catalyst-free biomass-based polyurethane-wood composites (PU-WC): From valorization and liquefaction to future generation of biocomposites
PublicationA substantial aspect of materials engineering lies in the responsible process of designing polymer-based materials. Due to environmental pollution, excessive consumption of natural resources, and increasing environmental awareness of society, there is a massive need for polyurethane (PU) materials with reduced environmental impact. To date, research on catalyst-free polyurethane-wood composites (PU-WC) has demonstrated a huge potential...
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...