Search results for: HYDROGEN ENERGY
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Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling
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Supramolecular Assemblies of Hydrogen Bonded Carboxylic Acid Dimers Mediated by Phenyl-Pentafluorophenyl Stacking Interactions.
PublicationKwas pentafluorobenzoesowy tworzy heterodimery z kwasami benzoesowym i 2,4,6-trimetylobenzoesowym w wyniku oddziaływań typu pi-pi reszt fenylowych i pentafluorofenylowych. Otrzymane kokryształy wymienionych kwasów z 1,4-bisarylobutadiynami zawierały homodimery tworzone przez cząsteczki kwasów, pomiędzy którymi znajdowały się cząsteczki diarylodiacetylenów.
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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublicationMetodą rentgenowskiej analizy strukturalnej wyznaczono struktury krystaliczne i cząsteczkowe trzech soli amoniowych: (t-BuO)3SiS(-)H3N(+)Bu-t, (i-PrO)3SiS(-)H3N(+)Bu-t i (t-BuO)3SiS(-)H3N(+)(CH2)2CH(CH3)2. Wszystkie trzy związki w ciele stałym tworzą tetramery w których atomy S i N wyznaczają w przybliżeniu naroża sześcianu. Trwałość tych agregatów, oprócz sił elektrostatycznego przyciągania, zapewnia sieć wiązań wodorowych N-H
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Determination of carbon monoxide, methane and carbon dioxide in refinery hydrogen gases and air by gas chromatography
PublicationW pracy przedstawiono metodę oznaczania śladowych zawartości tlenku węgla, metanu oraz dwutlenku węgla w rafineryjnych gazach wodorowych oraz powietrzu; granica oznaczalności metody wynosi odpowiednio 0,15, 0,15 oraz 0,20 mikro-gram/litr. Zaprezentowano w pracy prostą modyfikację chromatografu gazowego wyposażonego w detektor płomieniowo-jonizacyjny (FID). Zastosowano kolumnę typu PorapakQ, dodatkowo połączono szeregowo z krótką...
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Optimization of the Relative Humidity of Reactant Gases in Hydrogen Fuel Cells Using Dynamic Impedance Measurements
PublicationWater management is a key factor affecting the efficiency of proton exchange membrane fuel cells (PEMFCs). The currently used monitoring methods of PEMFCs provide limited information about which processes or components that humidity has a significant impact upon. Herein, we propose the use of a novel approach of impedance measurements using a multi-sinusoidal perturbation signal, which enables impedance measurements under dynamic...
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Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
PublicationChitosan–collagen blends have been widely applied in tissue engineering, joints diseases treatment, and many other biomedical fields. Understanding the affinity between chitosan and collagen type II is particularly relevant in the context of mechanical properties modulation, which is closely associated with designing biomaterials suitable for cartilage and synovial fluid regeneration. However, many structural features influence...
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A Probe into the Corrosion Behavior of a WE43B Magnesium Alloy in a Simulated Body Fluid using Dynamic Electrochemical Impedance Spectroscopy
PublicationWE43B is one of the newest Mg alloys with practical application in biomedical implant technology. This work attempts to scrutinize the corrosion characteristics of WE43B alloy in a simulated body fluid (SBF) at a typical body temperature. The dynamic-electrochemical impedance spectroscopy with the capacity to track changes on surfaces in a dynamic corrosive system is used in combination with other classical techniques namely, linear...
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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations
PublicationWe present a complete exploration of the different fragmentation mechanisms of furan (C4H4O) operating at low and high energies. Three different theoretical approaches are combined to determine the structure of all possible reaction intermediates, many of them not described in previous studies, and a large number of pathways involving three types of fundamental elementary mechanisms: isomerization, fragmentation, and H/H2 loss...
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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublicationThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Gasification of Densified Biomass (DB) and Municipal Solid Wastes (MSW) Using HTA/SG Technology
PublicationThe necessity of economical and rational use of natural energy sources caused a rapid development of research on the possibilities of using non‐conventional energy resources. Taking the above into account, a new technological process of thermochemical conversion of biomass and communal waste, commonly known as High Temperature Air/Steam Gasification (HTA/SG) and Multi‐Staged Enthalpy Extraction Technology (HTAG‐MEET), was developed....
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Hydrogen permeation through welded joints of S690QL steels at cathodic polarisation in sea water in the presence of SRB
PublicationPrezentowane są wyniki badan metodą Devanathana- Stachurskyego przenikania wodoru w wodzie morskiej w obecności bakterii redukujących siarczany i w warunkach sterylnych. Badania wykonano na stali S690QL poddanej symulowanym obróbkom cieplnym prowadzącym do struktur modelujących strefy wpływu ciepła. Stwierdzono dodatni wpływ obecności bakterii na przenikanie wodoru. Różnice między poszczególnymi próbkami były minimalne.
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Niszczenie wodorowe złączy spawanych ze stali S355 = Hydrogen degradation of welded joints of S355 steel
PublicationW artykule przedstawiono ocenę podatności na niszczenie wodorowe złączy spawanych ze stali S355. Jako parametry niszczenia wodorowego wybrano względne wartości energii zniszczenia, wydłużenia, przewężenia i wytrzymałości na rozciąganie. Parametry te wyznaczono w próbie odkształcania z małą prędkością na próbkach okrągłych, gładkich. Stwierdzono, że stal S355w środowisku kwaśnym podczas polaryzacji katodowej, jest bardziej skłonna...
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Toward an Understanding of the Chemiluminescence Accompanying the Reaction of 9-Carboxy-10-methylacridinium Phenyl Ester with Hydrogen Peroxide
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Evaluation of hydrogen degradation susceptibility of high-strength weldable steel subjected to cathodic polarization in sea-water
PublicationOcenę podatności stali spawalnych o wysokiej wytrzymałości ich złączy spawanych na kruchość wodorową przeprowadzono z wykorzystaniem próby rozciągania ze stałą, niską szybkością odkształcenia w środowisku wody morskiej przy polaryzacji katodowej. Wykonano próby elektrochemiczne przenikania wodoru w wodzie morskiej dla oceny dyfuzji i pułapkowania wodoru. Badano wpływ bakterii redukujących siarczany na absorpcję wodoru w środowisku...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Saccharides
PublicationSaccharides are widely distributed in nature as the major component of fruits and vegetables (primarily monosaccharides), milk and malt (mainly disaccharides), and grains (mostly polysaccharides). They are an important source of energy, structural material, as well as flavor and taste factors. Molecules of this class of compounds contain mainly carbon, hydrogen, and oxygen atoms; however, most natural saccha- rides do not have...
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Gentiana asclepiadea exerts antioxidant activity and enhances DNA repair of hydrogen peroxide- and silver nanoparticles-induced DNA damage
PublicationExposure to high levels of different environmental pollutants is known to be associated with induction of DNA damage in humans. Thus DNA repair is of great importance in preventing mutations and contributes crucially to the prevention of cancer. In our study we have focused on quantitative analysis of Gentiana asclepiadea aqueous or methanolic extracts obtained from flower and haulm, their antioxidant potency in ABTS post-column...
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HIERARCHICAL CYCLES IN MODERN POWER SYSTEMS – EXERGY ANALYSIS UNDER PART LOADS
PublicationThe aim of the paper is to investigate thermodynamic efficiency of advanced hierarchic power cyclesunder partial loads by using of exergy analyze. Advanced hierarchical power systems arecomposed of few energy conversion cycles, most common are steam and gas cycles in various configurations, but they may contain fuel cells, ORC, lithium bromide absorption chillers and others. Moreover hierarchical cycles can be powered by several...
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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Napawanie elementów wymiennika ciepła austenitycznym drutem proszkowym
PublicationNa potrzeby przemysłu energetycznego produkuje się wymienniki ciepła przeznaczone do eksploatacji w warunkach agresywnych chemicznie, np. w środowisku siarkowodoru. Z przyczyn ekonomicznych często stosuje się w takim przypadku materiały bimetaliczne wytwarzane procesami napawania. W artykule przedstawiono wyniki badań nieniszczących, pomiarów twardości, analizy składu chemicznego, pomiarów ferrytu delta oraz badań makro- i mikroskopowych...
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Thermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach
PublicationDensities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the experimental data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy...
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A Comparison of Hydrogen Storage in Pt, Pd and Pt/Pd Alloys Loaded Disordered Mesoporous Hollow Carbon Spheres
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Epoxidation of natural limonene extracted from orange peels with hydrogen peroxide over Ti-MCM-41 catalyst
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Nickel Nanoparticles Encapsulated in Nitrogen‐Doped Carbon Nanofibers as Excellent Bifunctional Catalyst for Hydrogen and Oxygen Evolution Processes
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Superior synergy of g-C3N4/Cd compounds and Al-MOF-derived nanoporous carbon for photocatalytic hydrogen evolution
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Sustainable Conversion of Mixed Plastics into Porous Carbon Nanosheets with High Performances in Uptake of Carbon Dioxide and Storage of Hydrogen
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Selective and efficient catalytic and photocatalytic oxidation of diphenyl sulphide to sulfoxide and sulfone: the role of hydrogen peroxide and TiO2 polymorph
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Photocatalytic hydrogen evolution by co-catalyst-free TiO2/C bulk heterostructures synthesized under mild conditions
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Weak hydrogen bonding interaction S-H···O=C studied by FT-IR spectroscopy and DFT calculations
PublicationInteractions between the thiolate group of tri-tert-butoxysilanethiol (TBST) and carbonyl group of acetone are studied with the use of FT-IR spectroscopy and DFT calculations.
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Study of Phase Transformation Processes Occurring in the Nanocrystalline Iron/Ammonia/Hydrogen System by the Magnetic Permeability Measurement Method
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Modelling of high temperature air/steam gasification of biomassand solid wastes in view of hydrogen-rich gas production
PublicationPrzedstawiono zaawansowane technologie produkcji gazu bogatego w wodór z biomasy i odpadów komunalnych. Przeprowadzono badania eksperymentalne na stanowisku pomiarowym wykonanym w skali półprzemysłowej. Otrzymano obiecujące rezultaty podczas zgazowania palet drewnianych gazem o różnej zawartości pary wodnej.
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Magnetizability of the relativistic hydrogen-like atom: applicayion of the Sturmian expansion of the first-order Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetyzowalności relatywistycznego atomu wodoro-podobnego w stanie podstawowym.
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Effective yttrium based coating for steel interconnects of solid oxide cells: Corrosion evaluation in steam-hydrogen atmosphere
PublicationThis work describes manufacture, analysis and test of a new well conducting corrosion-protection coating that can be applied on steel types with high chromium content. Electrolytic deposition of yttrium salts is used to form thin (<100 nm) coatings on both flat steel sheets (material: Crofer 22 APU) and its properties are proven on woven wire-meshes (materials from two different sources: SUS316 and SUS316L). The oxide scale on...
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Cathodic Activation of Titania-Fly Ash Cenospheres for Efficient Electrochemical Hydrogen Production: A Proposed Solution to Treat Fly Ash Waste
PublicationFly ash (FA) is a waste product generated in huge amounts by coal-fired electric and steam-generating plants. As a result, the use of FA alone or in conjunction with other materials is an intriguing study topic worth exploring. Herein, we used FA waste in conjunction with titanium oxide (TiO2) to create (FA-TiO2) nanocomposites. For the first time, a cathodic polarization pre-treatment regime was applied to such nanocomposites...
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Enhanced boron doping of thin diamond films grown in deuterium-rich microwave plasma
PublicationThe boron-doped diamond thin films were growth in deuterium rich microwave plasma in CVD process. The mechanism of influence of plasma composition on boron doping level was studied using optical emission spectroscopy. Deuterium rich plasma results in an increased dissociation of B2H6 precursor and intense boron-radicals' production. In consequence, a higher doping level of diamond films was observed by means of Laser Induced Breakdown...
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Characterization of magnesium doped lanthanum orthoniobate synthesized by molten salt route
PublicationMolten salt synthesis method has been used to prepare the single phase magnesium doped lanthanum orthoniobate. The phase composition has been checked by X-ray diffraction method and the microstructure studies have been performed by scanning electron microscopy. The high temperature properties of the material have been investigated by thermogravimetry and electrochemical impedance spectroscopy. A dependence between sample total...
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Desulfurization of raw naphtha cuts using hybrid systems based on acoustic cavitation and advanced oxidation processes (AOPs)
PublicationA combination of dual-frequency acoustic cavitation (acoustic cavitation) and UV assisted advanced oxidation processes (AOPs) reaction system was developed for desulfurization of raw naphtha used to produce aviation fuels. Various types of oxidants in hybrid systems including hydrogen peroxide, acetic acid, acetone, air and ozone were compared. At optimum oxidant to sulfur compounds molar ratio (rox) of 5.0, the hybrid process...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublicationIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Formation of Highly Conductive Boron-Doped Diamond on TiO2 Nanotubes Composite for Supercapacitor or Energy Storage Devices
PublicationIn the present paper, we report the phenomena of the formation of the novel composite nanostructures based on TiO2 nanotubes (NTs) over-grown by thin boron-doped diamond (BDD) film produced in Microwave Plasma Enhanced Chemical Vapor Deposition (PE MWCVD). The TiO2 nanotube array overgrown by boron-doped diamond immersed in 0.1 M NaNO3 can deliver high specific capacitance of 7.46 mF cm−2. The composite electrodes were characterized...
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Diiodo-BODIPY Sensitizing of the [Mo3S13]2– Cluster for Noble-Metal-Free Visible-Light-Driven Hydrogen Evolution within a Polyampholytic Matrix
PublicationWe report on a photocatalytic setup that utilizes the organic photosensitizer (PS) diiodo-BODIPY and the non-precious-metal-based hydrogen evolution reaction (HER) catalyst (NH4)2[Mo3S13] together with a polyampholytic unimolecular matrix poly(dehydroalanine)-graft-poly(ethyleneglycol) (PDha-g-PEG) in aqueous media. The system shows exceptionally high performance with turnover numbers (TON > 7300) and turnover frequencies (TOF...
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Sustainable Livestock Production: Screening Analysis and Pilot Implementation of a Biofilm in Piggery Biofilters for Mitigation of Ammonia and Hydrogen Sulfide Emissions
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Unraveling the solar and visible light-induced deactivation mechanism of Pt-decorated carbon/TiO2 nanocomposite in photocatalytic hydrogen production
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Experimental and quantum chemical evidences for C–H⋯N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides
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Promotion of Photocatalytic Hydrogen Evolution under Visible Light with NiO/C Fabricated via a Super Facile and General Strategy
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublicationOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Partial inhibition of borohydride hydrolysis using porous activated carbon as an effective method to improve the electrocatalytic activity of the DBFC anode
PublicationCarbon materials are commonly used catalyst supports in various types of fuel cells. Due to the possibility of designing their properties, they seem to be attractive and functional additives. In Direct Borohydride Fuel Cells (DBFCs), the electrooxidation reaction of borohydride competes with the undesirable hydrolysis reaction, therefore our work aimed to modify anodes based on a multi-component hydrogen storage alloy with a small...