Article
Chemistry, Multidisciplinary
Hyung Wan Do, HyeonJi Kim, Eun Seon Cho
Summary: With the increasing importance of hydrogen in decarbonization, solid-state hydrogen storage has become a pressing need. This study investigates the hydrogen storage performance and stability of sodium alanate in a nanoporous graphene oxide framework, demonstrating lower desorption temperature and activation energy, while maintaining stability under ambient conditions.
Review
Green & Sustainable Science & Technology
Alok Kumar, P. Muthukumar, Pratibha Sharma, E. Anil Kumar
Summary: Hydrogen is considered a reliable option for clean energy in a sustainable society. Absorption/adsorption based solid-state hydrogen storage technology is a safer alternative to compressed and liquefied hydrogen storage, using materials such as metal hydrides and complex hydrides. This review provides an overview of material options, alloy characteristics, and worldwide advancements in solid-state hydrogen storage.
SUSTAINABLE ENERGY TECHNOLOGIES AND ASSESSMENTS
(2022)
Article
Chemistry, Physical
Bruno Hessel Silva, Walter Jose Botta, Guilherme Zepon
Summary: Computational thermodynamic tools were used to design Ti-V-Nb-Cr alloys with good hydrogen storage properties. The phase diagram calculation and PCT diagram analysis helped identify suitable compositions. The synthesized alloys showed high hydrogen absorption capacity at room temperature without activation treatment. The Ti11V30Nb28Cr31 alloy exhibited good reversibility and stability, as demonstrated by cycling experiments and air exposure tests.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Multidisciplinary
YongJun Cho, Sichi Li, Jonathan L. Snider, Maxwell A. T. Marple, Nicholas A. Strange, Joshua D. Sugar, Farid El Gabaly, Andreas Schneemann, Sungsu Kang, Min-ho Kang, Hayoung Park, Jungwon Park, Liwen F. Wan, Harris E. Mason, Mark D. Allendorf, Brandon C. Wood, Eun Seon Cho, Vitalie Stavila
Summary: The study demonstrates a new approach to thermodynamically stabilizing metastable metal hydrides by coordinating them with nitrogen binding sites within nanopores. This allows for low-temperature hydrogen release and regeneration of LiAlH4 at high pressure, with a predicted decrease in Al-H bond dissociation energy. Additionally, solid-state reversibility is achieved through a combination of nanoconfinement effects, Li adatom formation, and charge redistribution between the metal hydride and the host.
Article
Energy & Fuels
Andrea Luigi Facci, Marco Lauricella, Sauro Succi, Vittorio Villani, Giacomo Falcucci
Summary: Thermal and mechanical energy storage is crucial for the effective utilization of renewable energy sources in transitioning to a sustainable economy. Hydrogen-based systems are a promising solution for electrical energy storage, but technical and economic barriers continue to hinder their widespread adoption. The combination of metal hydride H-2 canisters with latent heat storage presents an opportunity to improve power density and control system temperature. A numerical solver based on a hybrid Lattice Boltzmann Phase-Field algorithm is developed to assist in the design process and study the melting and solidification of phase change materials, enhancing metal-hydride storage systems for hydrogen-based energy applications.
Article
Chemistry, Physical
Huy Le-Quoc, Marie Coste, Ana Lacoste, Laetitia Laversenne
Summary: 1.8 micrometer-thick magnesium hydride films were synthesized on flexible graphite and polyimide foils. XRD analysis showed that the as-deposited thin film consisted of alpha-MgH2 with a tetragonal, rutile-type crystal structure. The uncapped films exhibited slower kinetics during the first desorption due to superficial oxidation, but subsequent dehydrogenations occurred faster after the passivating layer was removed. Cycling of the film on polyimide resulted in delamination, while the film on flexible graphite showed fully reversible capacity over 28 cycles with no delamination and an evolution of the microstructure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Eli Grigorova, Pavel Markov, Boyko Tsyntsarski, Peter Tzvetkov, Ivanka Stoycheva
Summary: This study investigates the hydrogen sorption performance of materials based on 80 wt.% MgH2 with the addition of 15 wt.% Ni or V and 5 wt.% activated carbons synthesized from polyolefin wax, a waste product from polyethylene production (POW), walnut shells (CAN), and peach stones (CPS). The composition and performance of the samples are analyzed through milling, hydrogenation, X-ray diffraction, and TEM.
Article
Energy & Fuels
Nurul Nafiqah Itam Sulaiman, Muhammad Syarifuddin Yahya, Noratiqah Sazelee, Nurul Amirah Ali, Nurul Shafikah Mustafa, Muhammad Firdaus Asyraf Abdul Halim Yap, Mohammad Ismail
Summary: The addition of SrTiO3 significantly improves the hydrogen sorption performance of the 4MgH(2)-Li3AlH6 composite, mainly due to the alteration of its microstructure and pulverization effect. SrTiO3 demonstrates a good catalytic ability to the 4MgH(2)-Li3AlH6 system, reducing the onset decomposition temperature and enhancing rehydrogenation kinetics performance.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Physical
Jonina Felbinger, Inga Buerger, Marc Linder
Summary: In this study, a modified temperature-controlled sorption characterization technique is presented, which allows for measurements of sorption properties in vacuum. The method is validated and demonstrated through reference measurements of an AB5-type alloy. The results show good agreement with literature data, confirming the accuracy of the technique in measuring hydrogen sorption behavior.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Huang Liu, Jingxi Zhang, Pei Sun, Chengshang Zhou, Yong Liu, Zhigang Zak Fang
Summary: In this study, the effect of oxygen addition on the phase composition and hydrogen storage properties of TiFe alloys was systematically investigated. The results showed that high oxygen content improved the initial hydrogen sorption of TiFe, but reduced the hydrogen capacity. Increasing oxygen content also slightly increased the hydrogenation equilibrium pressure, but had almost no impact on the thermodynamics of TiFe alloy.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Manjin Kim, Qinfen Gu, Tanveer Hussain, Yahia Ali, Trevor B. Abbott, Kazuhiro Nogita
Summary: Adding Na to cast Mg-La alloys significantly improves hydrogen absorption kinetics during the first activation cycle. The role of Na in Mg-La alloys has been discussed based on microstructural observations, crystallography, and first principles calculations.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Energy & Fuels
Shajiullah Naveed Syed, Vinod Kumar Sharma
Summary: In this study, the performance of H-2-metal hydrides-based and CO2-adsorbent-based refrigeration systems are investigated and compared, with the metal hydrides system showing better refrigeration performance.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Mark Lautens, Egor M. Larin, Jeanne Masson-Makdissi, Jin Jang
Summary: In this study, a rhodium-catalyzed domino strategy was developed for the synthesis of oxindole-containing products from simple ortho-bromoaniline-derived acrylamides. Mechanistic and computational studies elucidated that the reaction proceeds through a Heck-type process to generate benzylidene intermediate and subsequent beta-hydride elimination, followed by the formation of RhI-hydride species and a 1,4-conjugate addition to yield the final oxindole products. Importantly, the use of sodium formate was found to be crucial for generating the rhodium hydride species and enabling the catalyst turnover.
Article
Engineering, Electrical & Electronic
Zia Ur Rehman, Mohsan Nawaz, Hameed Ullah, Imad Uddin, Masroor Ahmed Bangesh, Qudrat Ullah Khan
Summary: In this study, magnesium nanoparticles (MgNPs) and Mg@Ni core-shell nanoparticles were synthesized for the first time using microemulsion technique. The Ni shell significantly reduced the desorption temperature of the MgNPs. The SEM and TEM observations confirmed the homogeneous distribution of the synthesized nanostructures and core-shell materials. PCT results showed that Mg@Ni core-shell nanoparticles absorbed more hydrogen compared to pure MgNPs. The hydrogen storage properties of Mg@Ni core-shell nanoparticles were excellent due to the nano size effect.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Energy & Fuels
Song Zhang, Han-Qing Chen, Xiao-tian Kan, Yun-Long Tai, Wen-Long Liu, Bao-Xia Dong, Yun-Lei Teng
Summary: The study successfully demonstrated the thermochemical reduction of solid CO2 with solid hydrogen to prepare COx-free H-2-mixed CH4 fuel with high yields and selectivity, showing great potential for in-situ preparation of methane fuel with high selectivity.
Article
Materials Science, Multidisciplinary
Heike C. Herper, Konstantin P. Skokov, Semih Ener, Patrik Thunstroem, Leopold V. B. Diop, Oliver Gutfleisch, Olle Eriksson
Summary: This study presents a comprehensive theoretical and experimental investigation of the magnetic properties of NdFe11Ti and RE-free YFe11Ti, aiming to elucidate the influence of the 4f electrons. The localized 4f electrons of Nd are found to be the driving force behind the complex magnetocrystalline anisotropy behavior, transitioning from cone to uniaxial above 170 K. The experimental data are compared with density functional theory, supplemented with a Hartree-Fock correction (+U) and an approximate dynamical mean-field theory.
Article
Materials Science, Multidisciplinary
Yuxiao Jia, Yuye Wu, Yichen Xu, Ruixiao Zheng, Shiteng Zhao, Konstantin P. Skokov, Fernando Maccari, Alex Aubert, Oliver Gutfleisch, Jingmin Wang, Hui Wang, Jianxin Zou, Chengbao Jiang
Summary: In this study, a strategy to suppress twin formation in L1(0)-MnAl permanent magnets was proposed by reducing the grain and/or particle sizes below a critical size of D-t-300 nm. The results showed that the optimal coercivity can be achieved within the range of 50-200 nm, providing a pathway to achieve a twin-free microstructure with high texture degree in polymer-bonded or sintered magnets. These findings can be applied to other twin-containing permanent magnet compounds to increase their texture and maximal energy products.
Article
Materials Science, Multidisciplinary
M. Takhsha Ghahfarokhi, F. Casoli, C. Minnert, S. Bruns, E. Bruder, R. Cabassi, K. Durst, O. Gutfleisch, F. Albertini
Summary: Nanoindentation was applied to study the effect of localized plastic deformation on the martensitic transformation of epitaxial Ni-Mn-Ga films on a MgO substrate. The cooling and heating curves for the nanoindented areas were analyzed, showing a thermodynamically governed local increase of the martensitic transformation temperature as a function of applied loads. The observed effect is local and disappears beyond a certain distance from the pile-ups around the residual impressions.
Article
Materials Science, Multidisciplinary
Fernando Maccari, Alexander Zintler, Thomas Brede, Iliya A. Radulov, Konstantin P. Skokov, Leopoldo Molina-Luna, Oliver Gutfleisch
Summary: The ferromagnetic Mn-Al-C tau-phase has potential to be developed as a permanent magnet, but its metastable nature and decomposition to nonmagnetic phases negatively affect its magnetic properties. This study investigates a novel method using electric current-assisted annealing to obtain pure tau-phase samples. Results show that increasing electric current density reduces the required temperature for phase formation, with a maximum shift of 140 degrees C at 45 A mm(-2). Magnetic properties, however, are not affected by the electric current density. Microstructural analysis reveals the nucleation of the tau-phase at grain boundaries and the presence of twin boundaries during phase growth, resulting in similar extrinsic magnetic properties.
ADVANCED ENGINEERING MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Lukas Schaefer, Konstantin Skokov, Fernando Maccari, Iliya Radulov, David Koch, Andrey Mazilkin, Esmaeil Adabifiroozjaei, Leopoldo Molina-Luna, Oliver Gutfleisch
Summary: A novel magnetic hardening mechanism is described, where modified Nd-Fe-B alloys undergo a solid-state phase transformation to increase coercivity. The presence of FeMo2B2 precipitates after thermal treatment refines the Nd2Fe14B grains and further enhances coercivity.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Ceramics
A. Aubert, J. S. Garitaonandia, F. Maccari, J. Broetz, K. Skokov, O. Gutfleisch
Summary: Recent research has shown that uniaxial magnetic anisotropy can be induced in Cobalt ferrite (CFO) by reactive sintering using spark plasma sintering (SPS), improving its magnetostrictive properties. This study investigates the parameters responsible for the induced anisotropy and identifies that it arises during cooling under SPS's uniaxial compression. Additionally, the study explores the fundamental origin of the magnetic anisotropy and find that it is caused by the ionic distribution of Co2+ in the CFO's spinel lattice. These findings advance the understanding of the relationship between SPS processing and magnetic properties of cobalt ferrite.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
I. Dirba, P. Pattur, I. Soldatov, E. Adabifiroozjaei, L. Molina-Luna, O. Gutfleisch
Summary: This study investigates the effect of grain boundary phase magnetism on coercivity in the quaternary Nd-Fe-Ga-Cu system. It is found that adjusting the Ce and Fe content, as well as infiltrating different materials, can effectively enhance the coercivity and temperature stability of magnets. The findings provide a better understanding of the influence of grain boundary phase magnetism on coercivity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Physics, Applied
I Dirba, C. K. Chandra, Y. Ablets, J. Kohout, T. Kmjec, O. Kaman, O. Gutfleisch
Summary: In this study, alternative materials systems with high magnetization and low anisotropy are investigated for their potential in delivering enhanced heating power in magnetic fluid hyperthermia. The performance of iron-nitrogen (Fe-N), iron-boron (Fe-B) and iron-carbon (Fe-C) compounds is compared to conventional iron oxides. The findings show that materials with high magnetization but low anisotropy provide the best combination for maximizing the specific loss power (SLP) in alternating magnetic fields.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Franziska Staab, Enrico Bruder, Lukas Scha, Konstantin Skokov, David Koch, Benjamin Zingsem, Esmaeil Adabifiroozjaei, Leopoldo Molina-Luna, Oliver Gutfleisch, Karsten Durst
Summary: Textured nanocrystalline SmCo5-Cu magnets are produced by high-pressure torsion (HPT) of powder blends consisting of SmCo5 and Cu powder. The process overcomes limitations imposed by the phase diagram as in conventional sintering routes, enabling a free selection of the magnetic phase and the grain boundary phase. Increasing number of rotations during HPT leads to structural refinement, increasing coercivity, and amorphous structure of strongly deformed SmCo5 particles. The magnetic hardening is attributed to microstructural refinement and magnetic decoupling of hard magnetic SmCo5 grains by Cu.
Article
Materials Science, Multidisciplinary
Benedikt Beckmann, David Koch, Lukas Pfeuffer, Tino Gottschall, Andreas Taubel, Esmaeil Adabifiroozjaei, Olga N. Miroshkina, Stefan Riegg, Timo Niehoff, Nagaarjhuna A. Kani, Markus E. Gruner, Leopoldo Molina-Luna, Konstantin P. Skokov, Oliver Gutfleisch
Summary: Ni-Mn-based Heusler alloys, especially all-d-metal Ni(-Co)-Mn-Ti, show promising potential for energy-efficient solid-state refrigeration. The study focuses on the transition entropy change and reveals a significant contribution from the structural entropy change, as well as a negative entropy change from the magnetic subsystem at lower temperatures. This phenomenon limits the utilization of these alloys for gas liquefaction at cryogenic temperatures.
Article
Physics, Applied
Franziska Scheibel, Wei Liu, Lukas Pfeuffer, Navid Shayanfar, Andreas Taubel, Konstantin P. Skokov, Stefan Riegg, Yuye Wu, Oliver Gutfleisch
Summary: This study compares the properties of single-phase Ni-Mn-In alloys and two-phase Gd-doped Ni-Mn-In alloys and finds that the addition of Gd has little effect on the magnetocaloric performance, but greatly improves the mechanical stability by causing grain refinement.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Physical
Laura de Kort, Peter Ngene, Marcello Baricco, Petra de Jongh, Valerio Gulino
Summary: It was found that the addition of silica nanoparticles to iodide-substituted LiBH4 significantly improves the ion conductivity and cycle life of all-solid state batteries. The synthesized h-Li(BH4)0.8(I)0.2-SiO2 demonstrates a Li+ conductivity of 9.3 x 10-5 S cm-1 at room temperature and an improved stability against Li-metal. The all-solid state battery Li|h-Li(BH4)0.8(I)0.2-SiO2|TiS2 showed good long-term cyclability, demonstrating the enhanced cycling stability of the electrolyte due to the addition of oxide nanoparticles.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Biochemistry & Molecular Biology
Radovan Cerny, Matteo Brighi, Hui Wu, Wei Zhou, Mirjana Dimitrievska, Fabrizio Murgia, Valerio Gulino, Petra E. de Jongh, Benjamin A. Trump, Terrence J. Udovic
Summary: This study investigates the thermal polymorphism in CsCB11H12 and discovers the existence of two polymorphs: the ordered R3 polymorph at around 313K and the disordered I43d polymorph at around 353K. Additionally, it identifies a disordered Fm3 polymorph appearing from the disordered I43d polymorph at 513K and transforming into a high-temperature P6(3)mc polymorph. Neutron scattering results show isotropic rotational diffusion of CB11H12- anions in the disordered phase at 560K.
Article
Chemistry, Multidisciplinary
Weiwei He, Yan Yin, Qihua Gong, Richard F. L. Evans, Oliver Gutfleisch, Bai-Xiang Xu, Min Yi, Wanlin Guo
Summary: The existence of giant magnetocaloric effect (MCE) and its strain tunability in monolayer magnets, including CrX3 (X = F, Cl, Br, I), CrAX (A = O, S, Se; X = F, Cl, Br, I), and Fe3GeTe2, has been revealed through multiscale calculations. The maximum values of adiabatic temperature change (Delta T-ad(max)), isothermal magnetic entropy change, and specific cooling power in monolayer CrF3 are found to be as high as 11 K, 35 mu J m(-2) K-1, and 3.5 nW cm(-2) under a magnetic field of 5 T, respectively. The application of compressive strain can significantly increase Delta T-ad(max) of CrCl3 and CrOF by 230% and 37% (up to 15.3 and 6.0 K), respectively. It is observed that a large net magnetic moment per unit area favors improved MCE. These findings provide new opportunities for magnetic cooling at the nanoscale.
Article
Chemistry, Inorganic & Nuclear
Francesco Mattarozzi, Marisol Tapia Rosales, Rim C. J. van de Poll, Emiel J. M. Hensen, Peter Ngene, Petra E. de Jongh
Summary: The electrochemical reduction of CO2 to produce sustainable fuels and chemicals has gained significant attention, with surface-modified carbons being found to catalyze the CO2RR. This study introduces a strategy for surface modification of commercially available carbon materials by incorporating oxygen and nitrogen surface groups while maintaining their graphitic structure. The results highlight the significant impact of surface group chemistry and point of zero charge (PZC) on CO2RR activity, selectivity, and turnover frequency. Nitrogen-containing surface groups demonstrate high selectivity for CO formation in comparison to oxygen-containing surface groups and carbon without surface groups, indicating the tunability of carbon's selectivity towards CO2RR through surface functionalization.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)