Volodymyr Yartys | Institute for Energy Technology (IFE) (original) (raw)
Papers by Volodymyr Yartys
Progress in Energy
Industrial and public interest in hydrogen technologies has risen strongly recently, as hydrogen ... more Industrial and public interest in hydrogen technologies has risen strongly recently, as hydrogen is the ideal means for medium to long term energy storage, transport and usage in combination with renewable and green energy supply. In a future energy system, the production, storage and usage of green hydrogen is a key technology. Hydrogen is and will in future be even more used for industrial production processes as a reduction agent or for the production of synthetic hydrocarbons, especially in the chemical industry and in refineries. Under certain conditions material based systems for hydrogen storage and compression offer advantages over the classical systems based on gaseous or liquid hydrogen. This includes in particular lower maintenance costs, higher reliability and safety. Hydrogen storage is possible at pressures and temperatures much closer to ambient conditions. Hydrogen compression is possible without any moving parts and only by using waste heat. In this paper, we summar...
Journal of Power Sources, 2019
Abstract This work was focused on studies of structural and electrochemical properties of the La-... more Abstract This work was focused on studies of structural and electrochemical properties of the La-doped AB2-type Zr/Ti-based metal hydride anode alloys. The Ti0.2Zr0.8La0-0.05Ni1.2Mn0.7V0.12Fe0.12 alloys were characterized using SEM, EDS and XRD, which concluded that the major C15 Laves type AB2 compound co-exists with a minor La-Ni intermetallic. NPD study indicated that vanadium together with Ti and Zr partially fills the A site, while the rest of V together with Ni, Mn and Fe statistically fills the B site. NPD showed that in a trihydride (Ti,Zr,V)(Ni,Mn,Fe,V)2D2.9 D atoms occupy A2B2 tetrahedra. The alloys were characterized during high-rate discharge and on cycling. La addition resulted in a significant improvement of the activation performance caused by a catalytic influence of LaNi hydride. The highest content of La greatly accelerated the activation, but it also caused an obvious decrease in discharge capacity and cycling stability. The alloy with an optimized La addition (x = 0.03) demonstrated a maximum discharge capacity of 420 mAh g−1 and the discharge capacity maintained at 79% at 0.71 C, while the capacity retention after 500 cycles was also high, 63%. Based on the EIS results, we conclude that the decay of the alloy electrode is related to the irreversible capacity loss and its pulverization.
Acta Materialia
Understanding an interrelation between the structure, chemical composition and hydrogenation prop... more Understanding an interrelation between the structure, chemical composition and hydrogenation properties of intermetallic hydrides is crucial for the improvement of their hydrogen storage performance. Ability to form the hydrides and to tune the thermodynamics and kinetics of their interaction with hydrogen is related to their chemical composition. Some features of the metal-hydrogen interactions remain however poorly studied, including chemistry of Sc-containing hydrides. ZrNiAl-type ScNiSn-based intermetallic hydride has been probed in the present work using a broad range of experimental techniques including Synchrotron and Neutron Powder Diffraction, 119 Sn Möessbauer Spectroscopy, hydrogenation at pressures reaching several kbar H 2 and hydrogen Thermal Desorption Spectroscopy studies. Computational DFT calculations have been furthermore performed. This allowed to establish the mechanism of the phase-structural transformation and electronic structure changes causing a unique contraction of the metal lattice of intermetallic alloy and the formation of the ...H-Ni-H-Ni… chains in the structure with H atoms carrying a partial negative charge. Such hydrogen absorption accompanied by a formation of a covalent Ni-H bonding and causing an unusual behavior contracts to the conventionally observed bonding mechanism of hydrogen in metals as based on the metallic bonding frequently accompanied by a jumping diffusion movement of the inserted H atomsin contrast to the directional Metal-Hydrogen bonding observed in the present work. At high applied pressures ScNiSnH 0.83 orthorhombic TiNiSi type hydride is formed with H atoms filling Sc 3 Ni tetrahedra. Finally, this study shows that scandium closely resembles the behavior of the heavy rare earth metal holmium.
SSRN Electronic Journal
We report an operando neutron imaging study of a commercial ICR 10440 Li ion battery during charg... more We report an operando neutron imaging study of a commercial ICR 10440 Li ion battery during charge and discharge. The cylindrical battery with a spiral configuration is composed of a multiphase layered oxide cathode and graphite anode. In spite of a two-dimensional nature of the projection data of this time-resolved study, structural and functional details of the neutron radiography study were successfully uncovered and visualized. The spatially resolved measurements with a resolution of 40 µm enabled to observe Li redistribution between the electrodes as well as a circulation of the electrolyte between the central column and the electrode layers at different states of charge (SoC) and at different current rates. Furthermore, ex-situ tomographic studies of the battery revealed the fine details of the structural inhomogeneity within the cell.
International Journal of Hydrogen Energy, 2019
Magnesium based hydride is in a focus of studies of solid hydrogen storage materials due to its a... more Magnesium based hydride is in a focus of studies of solid hydrogen storage materials due to its attractive properties [1-4]. These include high abundance, low cost and low density of Mg resulting in high gravimetric (7.66 wt% H) and volumetric (110 kg H m −3) hydrogen storage densities. Further to hydrogen storage, magnesium-based hydrides are very efficient in heat management applications operating at T = 250-550 °C [5-7]. Nanostructured hydrogen storage materials prepared by high-energy reactive ball milling of magnesium and ferrovanadium Mykhaylo Lototskyy a, *
International Journal of Hydrogen Energy
Journal of Alloys and Compounds, 2023
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
Journal of Alloys and Compounds, 2023
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
Acta Materialia, 2023
Understanding an interrelation between the structure, chemical composition and hydrogenation prop... more Understanding an interrelation between the structure, chemical composition and hydrogenation properties of intermetallic hydrides is crucial for the improvement of their hydrogen storage performance. Ability to form the hydrides and to tune the thermodynamics and kinetics of their interaction with hydrogen is related to their chemical composition. Some features of the metal-hydrogen interactions remain however poorly studied, including chemistry of Sc-containing hydrides. ZrNiAl-type ScNiSn-based intermetallic hydride has been probed in the present work using a broad range of experimental techniques including Synchrotron and Neutron Powder Diffraction, 119 Sn Möessbauer Spectroscopy, hydrogenation at pressures reaching several kbar H 2 and hydrogen Thermal Desorption Spectroscopy studies. Computational DFT calculations have been furthermore performed. This allowed to establish the mechanism of the phase-structural transformation and electronic structure changes causing a unique contraction of the metal lattice of intermetallic alloy and the formation of the ...H-Ni-H-Ni… chains in the structure with H atoms carrying a partial negative charge. Such hydrogen absorption accompanied by a formation of a covalent Ni-H bonding and causing an unusual behavior contracts to the conventionally observed bonding mechanism of hydrogen in metals as based on the metallic bonding frequently accompanied by a jumping diffusion movement of the inserted H atomsin contrast to the directional Metal-Hydrogen bonding observed in the present work. At high applied pressures ScNiSnH 0.83 orthorhombic TiNiSi type hydride is formed with H atoms filling Sc 3 Ni tetrahedra. Finally, this study shows that scandium closely resembles the behavior of the heavy rare earth metal holmium.
Journal of Alloys and Compounds, 2001
The deuterofullerene C D was prepared from the solid C and was characterised by means of XRD, IR ... more The deuterofullerene C D was prepared from the solid C and was characterised by means of XRD, IR and XPS. The C D was 60 24 60 60 24 found to be a polycrystalline powder with a FCC lattice and a514.55 A. Deuterium thermal desorption from C D leads to a reversible 60 24 formation of fullerene. However, the distances between the C molecules become significantly longer compared to the initial fullerite.
Journal of Alloys and Compounds
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
This work focused on the high pressure PCT and in situ neutron powder diffraction studies of the ... more This work focused on the high pressure PCT and in situ neutron powder diffraction studies of the LaMg2Ni9-H2 (D2) system at pressures up to 1,000 bar. LaMg2Ni9 alloy was prepared by a powder metallurgy route from the LaNi9 alloy precursor and Mg powder. Two La3−xMgxNi9 samples with slightly different La/Mg ratios were studied, La1.1Mg1.9Ni9 (sample 1) and La0.9Mg2.1Ni9 (sample 2). In situ neutron powder diffraction studies of the La1.09Mg1.91Ni9D9.5 (1) and La0.91Mg2.09Ni9D9.4 (2) deuterides were performed at 25 bar D2 (1) and 918 bar D2 (2). The hydrogenation properties of the (1) and (2) are dramatically different from those for LaNi3. The Mg-containing intermetallics reversibly form hydrides with Hdes = 24.0 kJ/molH2 and an equilibrium pressure of H2 desorption of 18 bar at 20 °C (La1.09Mg1.91Ni9). A pronounced hysteresis of H2 absorption and desorption, ~100 bar, is observed. The studies showed that LaNi5-assisted hydrogenation of MgNi2 in the LaMg2Ni9 hybrid structure takes place. In the La1.09Mg1.91Ni9D9.5 (1) and La0.91Mg2.09Ni9D9.4 (2) (a = 5.263/5.212; c = 25.803/25.71 Å) D atoms are accommodated in both Laves and CaCu5-type slabs. In the LaNi5 CaCu5-type layer, D atoms fill three types of interstices; a deformed octahedron [La2Ni4], and [La(Mg)2Ni2] and [Ni4] tetrahedra. The overall chemical compositions can be presented as LaNi5H5.6/5.0 + 2*MgNi2H1.95/2.2 showing that the hydrogenation of the MgNi2 slab proceeds at
Journal of Alloys and Compounds, 2023
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
2021 IEEE 11th International Conference Nanomaterials: Applications & Properties (NAP), 2021
Zeolite supported nanostructured Ni and Co catalysts were synthesized at ambient conditions by ca... more Zeolite supported nanostructured Ni and Co catalysts were synthesized at ambient conditions by cation-exchange reaction followed by a reduction of the adsorbed ions by NaBH4. Using UV-vis spectroscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy it was concluded that obtained products contained up to 3 wt. % of metal catalysts while the formed metallic nanoparticles were evenly distributed at the surface of the zeolite granules. Kinetics of hydrolysis of NaBH4 in presence of Ni and Co based catalysts has been characterized and related to the rate of hydrogen generation. Using both amorphous and zeolite supported Ni and Co nanocatalysts leads to a stable generation of hydrogen in wide range of NaBH4 concentrations and results in high extent of its conversion. Both amorphous and zeolite supported Ni and Co allow achieving a fast kinetics of hydrogen evolution, even though synthesized “in situ” amorphous Ni and Co showed a performance which was 25 % superior as compared to the catalysts deposited on zeolite. In combination with the high stability of the obtained nanocatalysts this suggests a potential of their application in the systems for hydrogen generation.
Intermetallics, 2017
Hydrogen interaction with intermetallic compound Nd 2 Ni 2 Mg crystallizing in the tetragonal Mo ... more Hydrogen interaction with intermetallic compound Nd 2 Ni 2 Mg crystallizing in the tetragonal Mo 2 FeB 2 type of structure leads to the formation of hydride/deuteride containing 7.4e8 H(D)/f.u. Hydrogen absorption is accompanied by a monoclinic deformation of the unit cell with the crystal structure data refined from Synchrotron XRD (Sp. gr. P2 1 /c; a ¼ 11.60733(5) Å; b ¼ 7.66057(3) Å; c ¼ 11.78743(5) Å, b ¼ 92.4126(4) , V ¼ 1047.194(8) Å 3) and high resolution powder XRD data. The formed interstitial hydride disproportionates during heating forming NdH 2. Nd 2 Ni 2 Mg is an antiferromagnet with the N eel temperature T N z 19 K. Presence of another magnetic phase transition at 14 K together with two metamagnetic transitions indicates a complicated magnetic phase diagram. The hydrogenation reduces T N to 1.0 K.
Journal of Alloys and Compounds, 2020
The battery market is undergoing quick expansion owing to the urgent demand for mobile devices, e... more The battery market is undergoing quick expansion owing to the urgent demand for mobile devices, electric vehicles and energy storage systems, convoying the current energy transition. Beyond Li-ion batteries are of high importance to follow these multiple-speed changes and adapt to the specificity of each application. This review-study will address some of the relevant post-Li ion issues and battery technologies, including Na-ion batteries, Mg batteries, Ca-ion batteries, Zn-ion batteries, Al-ion batteries and anionic (F-and Cl-) shuttle batteries. MH-based batteries are also presented with emphasize on NiMH batteries, and novel MHaccommodated Li-ion batteries. Finally, to facilitate further research and development some future research trends and directions are discussed based on comparison of the different battery systems with respect to Li-ion battery assumptions. Remarkably, aqueous systems are most likely to be given reconsideration for intensive, cost-effective and safer production of batteries; for instance to be utilized in (quasi)-stationary energy storage applications.
Journal of Alloys and Compounds, 2022
Laves type AB 2 intermetallics belong to the most abundant group of intermetallic compounds conta... more Laves type AB 2 intermetallics belong to the most abundant group of intermetallic compounds containing over 1000 compounds. A large variety of the chemical nature of A (Mg, Ca, Ti, Zr, Rare Earth Metals) and B (V, Cr, Mn, Fe, Co, Ni, Al) metals together with the existence of the extended solid solutions formed by mixing various selected components on both A and B sites dramatically extends the list the known binary and ternary individual compounds. A vast majority of the Laves type intermetallics crystallises with C15 / FCC MgCu 2 and C14 / hexagonal MgZn 2 types of structures, both formed for a large range of ratios between the atomic radii of the A and B components outside the ideal ratio r A /r B = 1.225. Their hydrogenation performance is defined by the chemical composition and structure of the alloys and proceeds according to the following alternative / parallel mechanisms: (a) Formation of the insertion type interstitial hydrides containing up to 6-7 at. H/f.u.AB 2 ; (b) Amorphisation of the alloys on hydrogenation; (c) Disproportionation with the formation of a binary hydride of the A metal and depleted by A metal B-components based alloys/ hydrides. Equilibrium pressures of hydrogen desorption from the AB 2-type hydrides span a huge range of ten orders of magnitude and thus Laves type-based intermetallics satisfy the requirements for various applications including getters of hydrogen gas, volume-and mass-efficient hydrogen storage materials operating at ambient conditions, materials for the efficient thermally driven compression of hydrogen gas with an output pressure of several hundred bar and high capacity and high rate anode materials for the metal hydride batteries operating in a challenging temperature range-at subzero temperatures and also above 60 °C. The paper contains references to 245 publications and will guide the future work in the areas of fundamental research and also in advancing the applications of the hydrides of the Laves type intermetallics.
Journal of Alloys and Compounds, 2023
Hydrogen-based energy: Status and prospects. Special Issue dedicated to the memory of Dr. Michel ... more Hydrogen-based energy: Status and prospects. Special Issue dedicated to the memory of Dr. Michel Latroche Michel Latroche (1957-2021) Michel Latroche, internationally recognized as an outstanding solid-state chemist and a pillar of the hydride community, left us suddenly. This special issue of the Journal of Alloys and Compounds entitled "Hydrogen-based energy: Status and prospects" is dedicated to his memory. It aims at reviewing the role of hydrides as key materials for energy storage and unveiling recent advances and novel perspectives in this long-standing and ever-challenging research field. The 13 selected papers included in this issue present original results and give comprehensive reviews, and were prepared by Michel Latroche's close collaborators. Many of them, as shown in the group photo below, attended the specially organized International workshop on Hydrides and Energy Storage that took place at the East
International Journal of Hydrogen Energy, 2021
Effective hydrolysis of magnesium hydride by adding magnesium chloride. Influence of magnesium ch... more Effective hydrolysis of magnesium hydride by adding magnesium chloride. Influence of magnesium chloride on the kinetics of the hydrolysis reaction and the yield of hydrogen. The effect of magnesium chloride concentration on the passivation layer of magnesium hydroxide. Kinetic model of magnesium hydride hydrolysis reaction in the presence of chloride ion. Determination of optimal concentrations of magnesium chloride.
International Journal of Hydrogen Energy, 2021
h i g h l i g h t s Lift truck simulation model with hybrid power pack is developed. PEMFC-Batter... more h i g h l i g h t s Lift truck simulation model with hybrid power pack is developed. PEMFC-Battery hybrid model for lift truck application was analyzed. Real lift truck load cycle was simulated.
Progress in Energy
Industrial and public interest in hydrogen technologies has risen strongly recently, as hydrogen ... more Industrial and public interest in hydrogen technologies has risen strongly recently, as hydrogen is the ideal means for medium to long term energy storage, transport and usage in combination with renewable and green energy supply. In a future energy system, the production, storage and usage of green hydrogen is a key technology. Hydrogen is and will in future be even more used for industrial production processes as a reduction agent or for the production of synthetic hydrocarbons, especially in the chemical industry and in refineries. Under certain conditions material based systems for hydrogen storage and compression offer advantages over the classical systems based on gaseous or liquid hydrogen. This includes in particular lower maintenance costs, higher reliability and safety. Hydrogen storage is possible at pressures and temperatures much closer to ambient conditions. Hydrogen compression is possible without any moving parts and only by using waste heat. In this paper, we summar...
Journal of Power Sources, 2019
Abstract This work was focused on studies of structural and electrochemical properties of the La-... more Abstract This work was focused on studies of structural and electrochemical properties of the La-doped AB2-type Zr/Ti-based metal hydride anode alloys. The Ti0.2Zr0.8La0-0.05Ni1.2Mn0.7V0.12Fe0.12 alloys were characterized using SEM, EDS and XRD, which concluded that the major C15 Laves type AB2 compound co-exists with a minor La-Ni intermetallic. NPD study indicated that vanadium together with Ti and Zr partially fills the A site, while the rest of V together with Ni, Mn and Fe statistically fills the B site. NPD showed that in a trihydride (Ti,Zr,V)(Ni,Mn,Fe,V)2D2.9 D atoms occupy A2B2 tetrahedra. The alloys were characterized during high-rate discharge and on cycling. La addition resulted in a significant improvement of the activation performance caused by a catalytic influence of LaNi hydride. The highest content of La greatly accelerated the activation, but it also caused an obvious decrease in discharge capacity and cycling stability. The alloy with an optimized La addition (x = 0.03) demonstrated a maximum discharge capacity of 420 mAh g−1 and the discharge capacity maintained at 79% at 0.71 C, while the capacity retention after 500 cycles was also high, 63%. Based on the EIS results, we conclude that the decay of the alloy electrode is related to the irreversible capacity loss and its pulverization.
Acta Materialia
Understanding an interrelation between the structure, chemical composition and hydrogenation prop... more Understanding an interrelation between the structure, chemical composition and hydrogenation properties of intermetallic hydrides is crucial for the improvement of their hydrogen storage performance. Ability to form the hydrides and to tune the thermodynamics and kinetics of their interaction with hydrogen is related to their chemical composition. Some features of the metal-hydrogen interactions remain however poorly studied, including chemistry of Sc-containing hydrides. ZrNiAl-type ScNiSn-based intermetallic hydride has been probed in the present work using a broad range of experimental techniques including Synchrotron and Neutron Powder Diffraction, 119 Sn Möessbauer Spectroscopy, hydrogenation at pressures reaching several kbar H 2 and hydrogen Thermal Desorption Spectroscopy studies. Computational DFT calculations have been furthermore performed. This allowed to establish the mechanism of the phase-structural transformation and electronic structure changes causing a unique contraction of the metal lattice of intermetallic alloy and the formation of the ...H-Ni-H-Ni… chains in the structure with H atoms carrying a partial negative charge. Such hydrogen absorption accompanied by a formation of a covalent Ni-H bonding and causing an unusual behavior contracts to the conventionally observed bonding mechanism of hydrogen in metals as based on the metallic bonding frequently accompanied by a jumping diffusion movement of the inserted H atomsin contrast to the directional Metal-Hydrogen bonding observed in the present work. At high applied pressures ScNiSnH 0.83 orthorhombic TiNiSi type hydride is formed with H atoms filling Sc 3 Ni tetrahedra. Finally, this study shows that scandium closely resembles the behavior of the heavy rare earth metal holmium.
SSRN Electronic Journal
We report an operando neutron imaging study of a commercial ICR 10440 Li ion battery during charg... more We report an operando neutron imaging study of a commercial ICR 10440 Li ion battery during charge and discharge. The cylindrical battery with a spiral configuration is composed of a multiphase layered oxide cathode and graphite anode. In spite of a two-dimensional nature of the projection data of this time-resolved study, structural and functional details of the neutron radiography study were successfully uncovered and visualized. The spatially resolved measurements with a resolution of 40 µm enabled to observe Li redistribution between the electrodes as well as a circulation of the electrolyte between the central column and the electrode layers at different states of charge (SoC) and at different current rates. Furthermore, ex-situ tomographic studies of the battery revealed the fine details of the structural inhomogeneity within the cell.
International Journal of Hydrogen Energy, 2019
Magnesium based hydride is in a focus of studies of solid hydrogen storage materials due to its a... more Magnesium based hydride is in a focus of studies of solid hydrogen storage materials due to its attractive properties [1-4]. These include high abundance, low cost and low density of Mg resulting in high gravimetric (7.66 wt% H) and volumetric (110 kg H m −3) hydrogen storage densities. Further to hydrogen storage, magnesium-based hydrides are very efficient in heat management applications operating at T = 250-550 °C [5-7]. Nanostructured hydrogen storage materials prepared by high-energy reactive ball milling of magnesium and ferrovanadium Mykhaylo Lototskyy a, *
International Journal of Hydrogen Energy
Journal of Alloys and Compounds, 2023
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
Journal of Alloys and Compounds, 2023
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
Acta Materialia, 2023
Understanding an interrelation between the structure, chemical composition and hydrogenation prop... more Understanding an interrelation between the structure, chemical composition and hydrogenation properties of intermetallic hydrides is crucial for the improvement of their hydrogen storage performance. Ability to form the hydrides and to tune the thermodynamics and kinetics of their interaction with hydrogen is related to their chemical composition. Some features of the metal-hydrogen interactions remain however poorly studied, including chemistry of Sc-containing hydrides. ZrNiAl-type ScNiSn-based intermetallic hydride has been probed in the present work using a broad range of experimental techniques including Synchrotron and Neutron Powder Diffraction, 119 Sn Möessbauer Spectroscopy, hydrogenation at pressures reaching several kbar H 2 and hydrogen Thermal Desorption Spectroscopy studies. Computational DFT calculations have been furthermore performed. This allowed to establish the mechanism of the phase-structural transformation and electronic structure changes causing a unique contraction of the metal lattice of intermetallic alloy and the formation of the ...H-Ni-H-Ni… chains in the structure with H atoms carrying a partial negative charge. Such hydrogen absorption accompanied by a formation of a covalent Ni-H bonding and causing an unusual behavior contracts to the conventionally observed bonding mechanism of hydrogen in metals as based on the metallic bonding frequently accompanied by a jumping diffusion movement of the inserted H atomsin contrast to the directional Metal-Hydrogen bonding observed in the present work. At high applied pressures ScNiSnH 0.83 orthorhombic TiNiSi type hydride is formed with H atoms filling Sc 3 Ni tetrahedra. Finally, this study shows that scandium closely resembles the behavior of the heavy rare earth metal holmium.
Journal of Alloys and Compounds, 2001
The deuterofullerene C D was prepared from the solid C and was characterised by means of XRD, IR ... more The deuterofullerene C D was prepared from the solid C and was characterised by means of XRD, IR and XPS. The C D was 60 24 60 60 24 found to be a polycrystalline powder with a FCC lattice and a514.55 A. Deuterium thermal desorption from C D leads to a reversible 60 24 formation of fullerene. However, the distances between the C molecules become significantly longer compared to the initial fullerite.
Journal of Alloys and Compounds
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
This work focused on the high pressure PCT and in situ neutron powder diffraction studies of the ... more This work focused on the high pressure PCT and in situ neutron powder diffraction studies of the LaMg2Ni9-H2 (D2) system at pressures up to 1,000 bar. LaMg2Ni9 alloy was prepared by a powder metallurgy route from the LaNi9 alloy precursor and Mg powder. Two La3−xMgxNi9 samples with slightly different La/Mg ratios were studied, La1.1Mg1.9Ni9 (sample 1) and La0.9Mg2.1Ni9 (sample 2). In situ neutron powder diffraction studies of the La1.09Mg1.91Ni9D9.5 (1) and La0.91Mg2.09Ni9D9.4 (2) deuterides were performed at 25 bar D2 (1) and 918 bar D2 (2). The hydrogenation properties of the (1) and (2) are dramatically different from those for LaNi3. The Mg-containing intermetallics reversibly form hydrides with Hdes = 24.0 kJ/molH2 and an equilibrium pressure of H2 desorption of 18 bar at 20 °C (La1.09Mg1.91Ni9). A pronounced hysteresis of H2 absorption and desorption, ~100 bar, is observed. The studies showed that LaNi5-assisted hydrogenation of MgNi2 in the LaMg2Ni9 hybrid structure takes place. In the La1.09Mg1.91Ni9D9.5 (1) and La0.91Mg2.09Ni9D9.4 (2) (a = 5.263/5.212; c = 25.803/25.71 Å) D atoms are accommodated in both Laves and CaCu5-type slabs. In the LaNi5 CaCu5-type layer, D atoms fill three types of interstices; a deformed octahedron [La2Ni4], and [La(Mg)2Ni2] and [Ni4] tetrahedra. The overall chemical compositions can be presented as LaNi5H5.6/5.0 + 2*MgNi2H1.95/2.2 showing that the hydrogenation of the MgNi2 slab proceeds at
Journal of Alloys and Compounds, 2023
The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool ... more The paper presents an overview of advanced in situ diffraction studies as a highly valuable tool to probe the structure and reacting mechanisms of hydrogen and energy storage materials. These studies offer benefits from the use of a high flux diffraction beam in combination with high resolution measurements, and allow, even when using very small samples, establishing the mechanism of the phase-structural transformations and their kinetics based on a rapid data collection for the various charge-discharge states at variable test conditions. The applied conditions include a broad range of hydrogen/deuterium pressures, from vacuum to high pressures reaching 1000 bar H 2 /D 2 , and temperatures, from cryocooling (2 K) to as high as 1273 K (1000 °C). Simultaneously, various state-of-charge and discharge are probed when studying metal-H/D systems for hydrogen/deuterium gas storage and as anode electrodes of metal hydride batteries. The range of the studied systems includes but is not limited to the AB 5 , AB 2 Laves type, AB, equiatomic ternary ABC intermetallics and Mg-containing layered AB 3 structures and composites. Prospects on Li-ion full cells are considered as well. Interrelations between the structure and hydrogen storage performance, including maximum and reversible H storage capacity, hysteresis of hydrogen absorption and desorption, H 2 absorption and desorption in dynamic equilibrium conditions, are considered and related to the ultimate goal of optimisation of the H storage behaviours of the advanced H storage materials. Numerous contributions of Dr. Michel Latroche to the field are highlighted, particularly in in situ studies during electrochemical transformations. The paper summarises a long-standing collaboration of the co-authors in the field, which also included 29 joint topical publications with Dr. Michel Latroche, and references 163 original publications.
2021 IEEE 11th International Conference Nanomaterials: Applications & Properties (NAP), 2021
Zeolite supported nanostructured Ni and Co catalysts were synthesized at ambient conditions by ca... more Zeolite supported nanostructured Ni and Co catalysts were synthesized at ambient conditions by cation-exchange reaction followed by a reduction of the adsorbed ions by NaBH4. Using UV-vis spectroscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy it was concluded that obtained products contained up to 3 wt. % of metal catalysts while the formed metallic nanoparticles were evenly distributed at the surface of the zeolite granules. Kinetics of hydrolysis of NaBH4 in presence of Ni and Co based catalysts has been characterized and related to the rate of hydrogen generation. Using both amorphous and zeolite supported Ni and Co nanocatalysts leads to a stable generation of hydrogen in wide range of NaBH4 concentrations and results in high extent of its conversion. Both amorphous and zeolite supported Ni and Co allow achieving a fast kinetics of hydrogen evolution, even though synthesized “in situ” amorphous Ni and Co showed a performance which was 25 % superior as compared to the catalysts deposited on zeolite. In combination with the high stability of the obtained nanocatalysts this suggests a potential of their application in the systems for hydrogen generation.
Intermetallics, 2017
Hydrogen interaction with intermetallic compound Nd 2 Ni 2 Mg crystallizing in the tetragonal Mo ... more Hydrogen interaction with intermetallic compound Nd 2 Ni 2 Mg crystallizing in the tetragonal Mo 2 FeB 2 type of structure leads to the formation of hydride/deuteride containing 7.4e8 H(D)/f.u. Hydrogen absorption is accompanied by a monoclinic deformation of the unit cell with the crystal structure data refined from Synchrotron XRD (Sp. gr. P2 1 /c; a ¼ 11.60733(5) Å; b ¼ 7.66057(3) Å; c ¼ 11.78743(5) Å, b ¼ 92.4126(4) , V ¼ 1047.194(8) Å 3) and high resolution powder XRD data. The formed interstitial hydride disproportionates during heating forming NdH 2. Nd 2 Ni 2 Mg is an antiferromagnet with the N eel temperature T N z 19 K. Presence of another magnetic phase transition at 14 K together with two metamagnetic transitions indicates a complicated magnetic phase diagram. The hydrogenation reduces T N to 1.0 K.
Journal of Alloys and Compounds, 2020
The battery market is undergoing quick expansion owing to the urgent demand for mobile devices, e... more The battery market is undergoing quick expansion owing to the urgent demand for mobile devices, electric vehicles and energy storage systems, convoying the current energy transition. Beyond Li-ion batteries are of high importance to follow these multiple-speed changes and adapt to the specificity of each application. This review-study will address some of the relevant post-Li ion issues and battery technologies, including Na-ion batteries, Mg batteries, Ca-ion batteries, Zn-ion batteries, Al-ion batteries and anionic (F-and Cl-) shuttle batteries. MH-based batteries are also presented with emphasize on NiMH batteries, and novel MHaccommodated Li-ion batteries. Finally, to facilitate further research and development some future research trends and directions are discussed based on comparison of the different battery systems with respect to Li-ion battery assumptions. Remarkably, aqueous systems are most likely to be given reconsideration for intensive, cost-effective and safer production of batteries; for instance to be utilized in (quasi)-stationary energy storage applications.
Journal of Alloys and Compounds, 2022
Laves type AB 2 intermetallics belong to the most abundant group of intermetallic compounds conta... more Laves type AB 2 intermetallics belong to the most abundant group of intermetallic compounds containing over 1000 compounds. A large variety of the chemical nature of A (Mg, Ca, Ti, Zr, Rare Earth Metals) and B (V, Cr, Mn, Fe, Co, Ni, Al) metals together with the existence of the extended solid solutions formed by mixing various selected components on both A and B sites dramatically extends the list the known binary and ternary individual compounds. A vast majority of the Laves type intermetallics crystallises with C15 / FCC MgCu 2 and C14 / hexagonal MgZn 2 types of structures, both formed for a large range of ratios between the atomic radii of the A and B components outside the ideal ratio r A /r B = 1.225. Their hydrogenation performance is defined by the chemical composition and structure of the alloys and proceeds according to the following alternative / parallel mechanisms: (a) Formation of the insertion type interstitial hydrides containing up to 6-7 at. H/f.u.AB 2 ; (b) Amorphisation of the alloys on hydrogenation; (c) Disproportionation with the formation of a binary hydride of the A metal and depleted by A metal B-components based alloys/ hydrides. Equilibrium pressures of hydrogen desorption from the AB 2-type hydrides span a huge range of ten orders of magnitude and thus Laves type-based intermetallics satisfy the requirements for various applications including getters of hydrogen gas, volume-and mass-efficient hydrogen storage materials operating at ambient conditions, materials for the efficient thermally driven compression of hydrogen gas with an output pressure of several hundred bar and high capacity and high rate anode materials for the metal hydride batteries operating in a challenging temperature range-at subzero temperatures and also above 60 °C. The paper contains references to 245 publications and will guide the future work in the areas of fundamental research and also in advancing the applications of the hydrides of the Laves type intermetallics.
Journal of Alloys and Compounds, 2023
Hydrogen-based energy: Status and prospects. Special Issue dedicated to the memory of Dr. Michel ... more Hydrogen-based energy: Status and prospects. Special Issue dedicated to the memory of Dr. Michel Latroche Michel Latroche (1957-2021) Michel Latroche, internationally recognized as an outstanding solid-state chemist and a pillar of the hydride community, left us suddenly. This special issue of the Journal of Alloys and Compounds entitled "Hydrogen-based energy: Status and prospects" is dedicated to his memory. It aims at reviewing the role of hydrides as key materials for energy storage and unveiling recent advances and novel perspectives in this long-standing and ever-challenging research field. The 13 selected papers included in this issue present original results and give comprehensive reviews, and were prepared by Michel Latroche's close collaborators. Many of them, as shown in the group photo below, attended the specially organized International workshop on Hydrides and Energy Storage that took place at the East
International Journal of Hydrogen Energy, 2021
Effective hydrolysis of magnesium hydride by adding magnesium chloride. Influence of magnesium ch... more Effective hydrolysis of magnesium hydride by adding magnesium chloride. Influence of magnesium chloride on the kinetics of the hydrolysis reaction and the yield of hydrogen. The effect of magnesium chloride concentration on the passivation layer of magnesium hydroxide. Kinetic model of magnesium hydride hydrolysis reaction in the presence of chloride ion. Determination of optimal concentrations of magnesium chloride.
International Journal of Hydrogen Energy, 2021
h i g h l i g h t s Lift truck simulation model with hybrid power pack is developed. PEMFC-Batter... more h i g h l i g h t s Lift truck simulation model with hybrid power pack is developed. PEMFC-Battery hybrid model for lift truck application was analyzed. Real lift truck load cycle was simulated.