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Search results for: hydrogen energy
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Effect of Microplastics Pollution on Hydrogen Production from Biomass: A Comprehensive Review
PublicationHydrogen production from biomass and organic wastes is considered as a potential alternative energy source and is known as a clean and CO2-free fuel energy carrier. H2 is considered very promising among the other energy sources; therefore, the effective conversion of biomass and organic solid waste to this secondary energy source is urgently sought. As a result, it is of importance to assess the impact of the existence of microplastics...
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A study of a reduction of a micro- and nanometric bismuth oxide in hydrogen atmosphere
PublicationA reduction of bismuth oxide in hydrogen atmosphere was investigated. The reaction was performed with a material in various structural forms: powder: with micrometric grains, powder with nanometric grains and powder pressed into pellets. The process was performed in both isothermal and non-isothermal conditions. An activation energy of the reaction calculated with Friedman method was found to be about 85 kJ/mol for the reduction...
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Hydrogen production from ethanol In nitrogen microwave plasma At atmospheric pressure
PublicationHydrogen seems to be one of the most promising alternative energy sources. It is a renewable fuel as it could be produced from e.g. waste or bio-ethanol. Furthermore hydrogen is compatible with fuel cells and is environmentally clean. In contrast to conventional methods of hydrogen production such as water electrolysis or coal gasification we propose a method based on atmospheric pressure microwave plasma. In this paper we present...
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Hydrogen production from biomass using dark fermentation
PublicationHydrogen applicability in the power, chemical and petrochemical industries is constantly growing. Efficientmethods of hydrogen generation from renewable sources, including waste products, are currently being de-veloped, even though hydrogen is mainly produced through steam reforming or thermal cracking of natural gasor petroleum fractions. In paper alternative methods of hydrogen production with a particular emphasis on darkfermentation...
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The influence of process parameters on photocatalytic hydrogen production
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublicationElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Production of hydrogen from biomass and its separation using membranetechnology
PublicationHydrogen is an important raw material for chemical industry and feasible renewable energy carrier that could replace fossil fuels. However, the specie seldom exists in a form of pure H2. Therefore, to obtain hydrogen in volumes suitable to be used as a raw material it is necesary to decompose hydrogen-rich compounds. The carbohydrate-rich biomass can be an important source of hydrogen by applying the process of dark fermentation....
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Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
PublicationThis article presents crystal structures of chalcogenadiazolecarboxylic acids bearing both a hydrogen and a chalcogen bond donor. The selected molecules varied in the size of the aromatic unit, the chalcogen atom and/or the position of the carboxyl group in the core structure. The most common synthons in their lattice are "R" _"2" ^"2" (8) self-complementary acid dimers or four-membered [Ch···N]2 rings. Supramolecular synthons...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublicationThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
PublicationExperiments performed in recent years on positron scattering from molecular hydrogen indicated a rise of the total cross section in the limit of zero energy, but essentially disagree on the amplitude of this rise. Mitroy and collaborators [J.-Y. Zhang et al., Phys. Rev. Lett. 103, 223202 (2009)] predicted a scattering length somewhat different from values deduced experimentally. Using a Markov chain Monte Carlo modified effective...
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublicationA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublicationA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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Conversion of Biomass and Municipal Wastes into Syngas and Hydrogen using Highly Preheated Agent (HTAG)
PublicationGasification is considered to be one of the most promising energy recovery technologies for the widespread utilization of biomass and wastes. During this process raw feedstock is converted into a combustible gas, which can then be burnt to produce thermal energy, or to run engines for mechanical or electrical power. The studies of biomass gasification demonstrate it as a friendly alternative to fossil fuels as one of renewable...
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Shape-controllable synthesis of GdVO4 photocatalysts and their tunable properties in photocatalytic hydrogen generation
PublicationNovel visible light responsive materials for water splitting are essential for the efficient conversion of solar energy into hydrogen bond energy. Among other semiconductors, gadolinium orthovanadate has appropriate conduction and valence band edges positioned to split water molecules and a narrow band gap that allows the use of visible light for hydrogen generation. Thus, we present here that hydrogen evolution under visible light...
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Detonations in hydrogen-methane-air mixtures in semi confined flat channels
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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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Theoretical design of nanocatalysts based on (Fe2O3)n clusters for hydrogen production from ammonia
PublicationThe catalytic activities of high-spin small Fe(III) oxides have been investigated for efficient hydrogen production through ammonia decomposition, using the artificial force induced reaction method within the framework of density functional theory with the B3LYP hybrid exchange–correlation functional. Our results reveal that the adsorption free energy of NH3 on (Fe2O3 )n (n = 1–4) decreases with increasing cluster size up to n...
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Absorbciâ vodoroda i povedenie vodoroda v slaâh titanovyh silavov s modificirovannoj poverhnost''û = Hydrogen absorption and hydrogen effects in the modified surface layers of Ti alloys
PublicationW pracy przedstawiono rezultaty badań absorpcji wodoru w stopach tytanu ze zmodyfikowaną za pomocą metod multipleksowych powierzchnią. W wyniku badań stwierdzono, iż po nadtapianiu laserowym w warunkach kriogenicznych, stopy tytanu wykazuja najwyższą zdolność absorpcji wodoru w wytworzonej warstwie wierzchniej.
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Hydrogen migration observed in fragmentation of the pyridine molecules in collisions with the H+, H2+, He+and He++cations
PublicationThe hydrogen atom migration preceding fragmentation of the pyridine molecules by the H+, H2+, He+ and He++ collisions has been investigated in the 5-2000 eV energy range. The pyridine molecule structure is lacking of the NH group, thus formation of the NH radicals is an evidence of the H atom relocation prior to the cation-induced fragmentation. The NH(A3Π) fragmentation yields measured by detecting its A3Π→X3Σ− fluorescence show...
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Processing of Biomass Prior to Hydrogen Fermentation and Post-Fermentative Broth Management
PublicationUsing bioconversion and simultaneous value-added product generation requires purifica- tion of the gaseous and the liquid streams before, during, and after the bioconversion process. The effect of diversified process parameters on the efficiency of biohydrogen generation via biological pro- cesses is a broad object of research. Biomass-based raw materials are often applied in investigations regarding biohydrogen generation using...
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Pd nanoparticles with tunable diameter deposited on carbon nanotubes with enhanced hydrogen storage capacity
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Hydrogen-Containing Na3HTi1–xMnxF8 Narrow-Band Phosphor for Light-Emitting Diodes
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Technological solutions for boosting hydrogen role in decarbonization strategies and net-zero goals of world shipping: Challenges and perspectives
PublicationFacing the problems concerning greenhouse gas (GHG) emissions from international ocean shipping has meant that the latest regulations of the International Maritime Organization, issued on 1st January 2023, have come into force, with the aim of reducing GHG emissions from maritime activities. Hydrogen has been suggested as an alternative fuel to achieve decarbonization ambitions in the near future. Although hydrogen has been investigated...
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Photocatalysts for Solar Energy Conversion
PublicationPhotocatalytic oxidation over suspended solid photocatalysts (e.g., titanium dioxide) has been proposed as a sustainable process for treatment and purification of water and wastewater as well as the process for photoconversion of solar energy to hydrogen, methane, and other low hydrocarbons. Solar radiation could be used to drive heterogeneous electrochemical reactions at the surface of an optically active photocatalyst (e.g.,...
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Municipal wastewater reclamation: Reclaimed water for hydrogen production by electrolysis – A case study
PublicationThis paper presents an analysis of a treatment system selection for municipal wastewater stream based on the DuPont Water Solutions WAVE software. The results obtained based on an analysis of 7 different processing cases studies (ultrafiltration and reverse osmosis) confirmed that the application of 2-pass membrane systems enables the reclamation of water from municipal wastewater that fulfills the requirements concerning the...
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Aluminum-TiO2 NPs Composites as Non-precious Catalysts for Efficient Electrochemical Generation of Hydrogen
PublicationIn this paper, we demonstrated, for the first time, aluminum titania nanoparticle (Al-TiO2 NP) composites with variable amounts of TiO2 NPs as nonprecious active catalysts for the electrochemical generation of H2. These materials were synthesized by mixing desired amounts of hydrogen titanate nanotubes (TNTs), fabricated here by a cost-effective approach at moderate hydrothermal conditions, with aluminum powder (purity 99.7%; size...
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublicationThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublicationThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
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Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates
PublicationHydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublicationThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublicationThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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Role of nitrogen in optical and electrical band gaps of hydrogenated/hydrogen free carbon nitride film
PublicationWe report the optical and electrical band gap energy of amorphous hydrogenated carbon nitride (a-HCNx) and carbon nitride (a-CNx) as a function of nitrogen concentration (N/C). The optical band gap of a-HCNx and a-CNx films has been determined by means of Ellipsometry and UV-VIS. Both optical and electrical band gaps increase with elevated nitrogen concentration. Experimentally obtained electrical band gap is compared with the...
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M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublicationMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
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Modification of TiO2 nanotubes by graphene–strontium and cobalt molybdate perovskite for efficient hydrogen evolution reaction in acidic medium
PublicationHerein, we demonstrate that modification of TiO2 nanotubes with graphene–strontium and cobalt molybdate perovskite can turn them into active electrocatalysts for hydrogen evolution reaction (HER). For this purpose, a simple method of hydrothermal synthesis of perovskites was developed directly on the TiO2 nanotubes substrate. Moreover, the obtained hybrids were also decorated with graphene oxide (GO) during one-step hydrothermal...
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The influence of dynamic load changes on temporary impedance in hydrogen fuel cells, selection and validation of the electrical equivalent circuit
PublicationTo achieve optimal performance of a fuel cell, a reliable monitoring and diagnostic method is required. The currently utilized methods give limited information or they are impossible to use under dynamic working conditions. To obtain comprehensive information about the fuel cell operation we utilized novel dynamic electrochemical impedance spectroscopy. Impedance measurements in dynamic mode were performed on a hydrogen fuel cell,...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublicationMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Renewable energy transition in Europe in the context of renewable energy transition processes in the world. A review
PublicationBoth the global and European energy sectors have been undergoing a deep transition for several years, associated with a reduction in the overall share of conventional coal-based energy in favor of new technologies, especially energy from renewable sources (RES). This transition is moving from centralized production towards distributed technologies and from providing only energy to end users towards combining innovative products...
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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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Bartosz Dawidowicz dr inż.
PeopleHe graduated from the Faculty of Mechanical Engineering at Gdańsk University of Technology MSc Eng. - Faculty of Mechanical Engineering, Gdansk University of Technology: specialization: Machines and Equipment of Food Industry (2000)PhD - Faculty of Mechanical Engineering, Gdansk University of Technology, discipline: construction and operation of machines, specialization: heat transfer (2008) Main areas of scientific activity related...
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Enhanced hydrogen evolution reaction on highly stable titania-supported PdO and Eu2O3 nanocomposites in a strong alkaline solution
PublicationIn this work, PdO/TiO2 and Eu2O3/TiO2 nanocomposites (NCs), were synthesized using a new facile, template-free and one-step solvothermal approach, and characterized by several instrumentation techniques. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of oxidised form of the Pd and Eu nanoparticles within the nanocomposite materials (PdO and Eu2O3). The two catalysts exhibited remarkable activity for the HER...
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Investigating Layered Topological Magnetic Materials as Efficient Electrocatalysts for the Hydrogen Evolution Reaction under High Current Densities
PublicationDespite considerable progress, high-performing durable catalysts operating under large current densities (i.e., >1000 mA/cm2) are still lacking. To discover platinum group metal-free (PGMfree) electrocatalysts for sustainable energy, our research involves investigating layered topological magnetic materials (semiconducting ferromagnets) as highly efficient electrocatalysts for the hydrogen evolution reaction under high current...
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The Effect of C45 Carbon Black-Phosphomolybdic Acid Nanocomposite on Hydrogenation and Corrosion Resistance of La2Ni9Co Hydrogen Storage Alloy
PublicationIn this paper, we analysed the influence of corrosion processes and the addition of a carbon black-heteropoly phosphomolybdic acid (C45-MPA) nanocomposite on the operating parameters of a hydride electrode obtained on the basis of the intermetallic compound La2Ni9Co. The electrochemical properties of negative electrodes for NiMH batteries were studied using galvanostatic charge/discharge curves, the potentiostatic method, and electrochemical...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Visualization of the surface of the Nafion membrane
Open Research DataFuel cells use the chemical energy of hydrogen or other fuels to produce electricity. If the fuel is hydrogen, the only products are electricity, water and heat. Fuel cells are unique in the variety of their potential applications, they can use a wide variety of fuels. They are also highly scalable devices that can power both cars and mobile phones....
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Graphitic carbon nitride nanosheets decorated with HAp@Bi2S3 core–shell nanorods: Dual S-scheme 1D/2D heterojunction for environmental and hydrogen production solutions
PublicationBy combining different semiconductors, scientists have developed innovative materials capable of converting solar energy into useful forms of energy or driving chemical reactions that clean up pollutants. These materials offer a promising path to combat global environmental and energy challenges. In this study, HAp@Bi2S3 core–shell structures were synthesized using a facile microemulsion technique, and then loaded onto graphitic...
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Influence of hydrogen on a nanocrystalline high-entropy oxide with application potential in hydrogen technologies
PublicationThe influence of hydrogen on a (Co0⋅2Cu0⋅2Mg0⋅2Ni0⋅2Zn0.2)O HEO with a rock salt structure was studied. Two forms of this HEO (nanopowder and sinter) were prepared via mechanochemical synthesis (MS) and additional heat treatment, respectively. The chemical stability of the synthesized samples in a pure hydrogen atmosphere was investigated using Sievert’s technique. High-pressure hydrogenation at 250 ◦C had no noticeable effect...
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The reductivity of the transition metals - calculations
Open Research DataThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.