Article
Chemistry, Physical
V. Pavlyuk, W. Ciesielski, N. Pavlyuk, D. Kulawik, G. Dmytriv
Summary: This study investigates the impact of two composite additives on the hydrogen absorption/desorption processes of metal intermetallic compounds, finding that the additives can enhance hydrogen absorption kinetics due to their stability, diffusion pathways to grains, and reactivity to H-2 dissociation. Through substitution and doping, the La2O3-CNT composite Li12+xMg3-xSi4-ySny alloy exhibits the highest uptake and release capability.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Lucas Faccioni Chanchetti, Bruno Hessel Silva, Jorge Montero, Claudia Zlotea, Yannick Champion, Walter Jose Botta, Guilherme Zepon
Summary: The structure and hydrogen storage properties of three Ti31V26Nb26Zr12M5 multicomponent alloys with M = Fe, Co, and Ni were investigated. The alloys synthesized by arc melting were characterized using X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The as-cast ingots showed multi-phase dendritic structures mainly composed of BCC phases and small amounts of C14 Laves phases. Upon hydrogenation, each alloy absorbed around 1.9 H/M at room temperature. XRD analysis of fully hydrogenated samples revealed the formation of multi-phase structures consisting of FCC and C14 hydrides. Thermo Desorption Spectroscopy (TDS) indicated that the hydrogenated alloys exhibited multi-step desorption processes with wide temperature ranges and low onset temperatures. XRD analysis of partially hydrogenated samples suggested the presence of intermediate BCC hydrides. XRD analysis of desorbed samples showed reversible reactions of absorption/desorption: BCC + C14 alloy 4 intermediate BCC hydride + C14 hydride 4 FCC + C14 hydrides. (c) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Nanoscience & Nanotechnology
Bing Han, Shaobo Yu, Hui Wang, Yanshan Lu, Huai-Jun Lin
Summary: In this study, Mg85Ni14Ce1 amorphous alloy films with different thicknesses were prepared, and the nanosize effect on hydrogen desorption and cycling properties was investigated. It was found that as the size decreases, the hydrogen storage kinetics of the alloy greatly increase, and the nanosized amorphous alloys can reversibly absorb and desorb hydrogen at a low temperature. Moreover, the alloy structure can be fully recovered after hydrogen absorption and desorption cycles. Therefore, nanosized amorphous alloys are promising candidates for reversible hydrogen storage applications.
SCRIPTA MATERIALIA
(2022)
Article
Chemistry, Physical
Panpan Zhou, Ziming Cao, Xuezhang Xiao, Liujun Zhan, Jiahuan He, Yuyuan Zhao, Li Wang, Mi Yan, Zhinian Li, Lixin Chen
Summary: This study evaluates the potential application of AB5 and AB2 alloys in hydrogen storage technology. La0.45Ce0.35Ca0.2Ni5 alloy exhibits excellent volumetric capacity (126.65 kg H2/m3), while Ti0.88Zr0.12Mn1.2Cr0.6V0.2 alloy performs better in gravimetric capacity (1.67 wt% H2). Both alloys have the potential to be qualified candidates for hydrogen feeding systems.
MATERIALS TODAY ENERGY
(2023)
Article
Chemistry, Physical
ChuBin Wan, Weikang Hu, R. Denys, C. C. Nwakwuo, J. K. Solberg, V. A. Yartys
Summary: The study focused on the impact of magnesium content in La3-xMgxNi9 alloys on their structural, hydrogen storage, and electrochemical properties, showing promising performance as active materials for negative electrodes in Nickel-Metal Hydride batteries. The X-ray diffraction results indicated that magnesium substitution for lanthanum promoted the formation of more homogeneous materials with a predominant intermetallic structure. The electrodes exhibited high discharge capacities and cycling stability, making them suitable for high-rate discharge applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Huazhou Hu, Chuanming Ma, Lu Zhou, Houqun Xiao, Qingjun Chen
Summary: The supply bottleneck and high cost of V have negatively affected its application. However, research shows that V plays an undeniable role in enhancing hydrogen storage properties. By substituting V with Mo and designing alloys, the need for V can be reduced while achieving higher hydrogen capacity.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Wei Jiang, Yi Peng, Yuchen Mao, Hui Wang, Liuzhang Ouyang, Runze Yu, Changqing Jin, Min Zhu
Summary: In this study, high pressure solidification was successfully used to obtain a metastable Y0.7Zr0.24Ti0.06Fe2 alloy with supersaturated Ti in the YFe2 based C15 Laves phase. The segregation of Ti, Y, Zr and multi-phase formation were suppressed, and the resulting HPS alloy consisted of primary C15 phase (C15-1) and secondary C15 phase (C15-2) with 77.1% and 22.9% of the total content, respectively. Additionally, the hydrogen absorption and desorption capacities were substantially increased. This study demonstrates that the combination of high-pressure solidification and alloying is an effective method for exploring new hydrogen storage materials with metastable structure and high performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Wei Jiang, Yi Peng, Yuchen Mao, Hui Wang, Liuzhang Ouyang, Runze Yu, Changqing Jin, Min Zhu
Summary: In this study, a metastable hydrogen storage alloy was successfully synthesized using high pressure solidification, which exhibited improved hydrogen absorption and desorption capacities. The findings demonstrate that the combination of high pressure solidification and alloying is an effective method for exploring new high-performance hydrogen storage materials.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Energy & Fuels
Muhammad Usman, Jalil ur Rehman, M. Bilal Tahir, Abid Hussain
Summary: This study investigates the physical properties of KGaH3 and LiGaH3, including lattice parameters, band gap, magnetic behavior, mechanical properties, and optical properties. The compounds are found to be stable cubic metallic materials with antiferromagnetic behavior and anisotropic properties. LiGaH3 exhibits better mechanical and hydrogen storage properties, making it a preferred material for hydrogen storage applications.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Physical
Luhui Han, Huogen Huang, Pengguo Zhang, Ce Ma, Xuefeng Wang, Ge Sang, Wenhua Luo
Summary: The study found that crystalline Zr2Co alloy shows higher feasibility in tritium treatment, demonstrating lower equilibrium pressure and better ability to suppress disproportionation reactions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Huimin Zhao, Pufan Yao, Yifan Zhao, Zhiqiang Zeng, Chaoqun Xia, Tai Yang
Summary: This paper reports the substitution of Fe, Co, Ni and Cu for Mn in ZrMnCr0.5V0.5 alloy to obtain high entropy alloys. The microstructure and hydrogen storage properties of the alloys are investigated. The results show that the elemental substitution greatly improves the activation properties and hydrogen absorption kinetics of the alloys. Among them, ZrMn0.5Cr0.5V0.5Fe0.5 alloy exhibits the best hydrogen storage performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Chen Li, Yong Lan, Xin Wei, Wei Zhang, Bingjie Liu, Xin Gao, Zeming Yuan
Summary: This paper studies the effect of trace amount of Y element on the hydrogen storage properties and microstructure of Ti1.1Fe0.8Mn0.2 alloy. The addition of Y significantly improves the activation property of the alloy and enhances the hydrogen absorption capacity. The Ti1.08Y0.02Fe0.8Mn0.2 alloy shows excellent performances at room temperature, approaching the theoretical hydrogen storage capacity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
I. I. Okseniuk, V. O. Litvinov, D. Shevchenko, R. L. Vasilenko, S. Bogatyrenko, V. V. Bobkov
Summary: This study summarizes the results of combined SIMS-TDS measurements on the interaction of hydrogen with various alloys at hydrogen pressures below 1 x 10(-2) Pa and temperatures ranging from 300 to 1100 K. The alloys showed varying levels of hydrogen absorption effectiveness and release temperatures, with different mechanisms such as chemisorption and bulk diffusion being involved. The comparative effectiveness of hydrogen absorption by the alloys followed the sequence Zr65V30Ti5 > Zr(V0.75Fe0.25)(2) > Zr2Fe.
Article
Chemistry, Physical
Zhaoyue Weng, Ilizel Retita, Yu-Sheng Tseng, Andrew J. Berry, Dean R. Scott, Daniel Leung, Yu Wang, S. L. I. Chan
Summary: The study investigated the formation of metastable gamma-MgH2 under ultra-high pressure, which has a lower dehydrogenation temperature and high hydrogen storage capacity compared to alpha-MgH2. Application of ultra-high pressure facilitated the formation of gamma-MgH2, showing its potential as a future hydrogen storage material.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
HongXin Li, ChuBin Wan, XiangCao Li, Xin Ju
Summary: The LaMgNi4 alloy shows promising potential as an active material for the negative electrode in Ni/MH batteries, exhibiting high hydrogen storage capacity and good cycling stability.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Rama Srinivas Varanasi, Motomichi Koyama, Hiroyuki Saitoh, Reina Utsumi, Toyoto Sato, Shin-ichi Orimo, Eiji Akiyama
Summary: The phase transformations and microstructure changes during the depressurization of non-hydrogenated and hydrogenated Fe-Mn-Si-Cr alloy were investigated. Understanding the effects of hydrogenation on the stability of the austenite phase in Fe-based alloys is crucial.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Multidisciplinary
Kei Okamoto, Fumitaka Takeiri, Yumiko Imai, Masao Yonemura, Takashi Saito, Kazutaka Ikeda, Toshiya Otomo, Takashi Kamiyama, Genki Kobayashi
Summary: In this study, a Ba-Li-Na-H-O oxyhydride system was synthesized by partially substituting sodium for lithium in BLHO, leading to a significant improvement in conductivity. Our experimental results demonstrate that substituting at least 40% of lithium with sodium can enhance the conductivity of the oxyhydride system.
Article
Chemistry, Physical
Ryuhei Sato, Kazuto Akagi, Shigeyuki Takagi, Kartik Sau, Kazuaki Kisu, Hao Li, Shin-ichi Orimo
Summary: Topological data analysis based on persistent homology is applied to the molecular dynamics simulation of the AgI a-phase to analyze the ion migration mechanism effectively. The persistence diagrams of a-AgI record the shape and size of the ring structures in the atomic configurations, clearly showing the emergence of four-membered rings formed by two Ag and two I ions at high temperatures, which are common structures during the Ag ion migration. The potential energy change due to the deformation of the four-membered ring agrees well with the activation energy calculated from the conductivity Arrhenius plot, and the concerted motion of two Ag ions via the four-membered ring is successfully extracted from molecular dynamics simulations, providing new insight into the specific mechanism of the concerted motion.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Katsuaki Sugawara, Haruki Kusaka, Tappei Kawakami, Koki Yanagizawa, Asuka Honma, Seigo Souma, Kosuke Nakayama, Masashi Miyakawa, Takashi Taniguchi, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Takashi Takahashi, Shin-ichi Orimo, Masayuki Toyoda, Susumu Saito, Takahiro Kondo, Takafumi Sato
Summary: Boron-based two-dimensional materials, especially rhombohedral boron monosulfide (r-BS), with its unique layered crystal structure, are being extensively studied for their potential applications in nanoelectronics. However, the analysis of the fundamental electronic properties of r-BS has been limited due to the lack of available large crystals. In this study, we utilize microfocused angle-resolved photoemission spectroscopy (micro-ARPES) to directly map the band structure of a tiny r-BS powder crystal, revealing that r-BS is a p-type semiconductor with an anisotropic in-plane effective mass and a band gap larger than 0.5 eV. These findings demonstrate the high applicability of micro-ARPES for investigating small powder crystals and provide new insights into the unexplored electronic states of novel materials.
Article
Materials Science, Multidisciplinary
Hiroki Yamada, Koji Ohara, Satoshi Hiroi, Atsushi Sakuda, Kazutaka Ikeda, Takahiro Ohkubo, Kengo Nakada, Hirofumi Tsukasaki, Hiroshi Nakajima, Laszlo Temleitner, Laszlo Pusztai, Shunsuke Ariga, Aoto Matsuo, Jiong Ding, Takumi Nakano, Takuya Kimura, Ryo Kobayashi, Takeshi Usuki, Shuta Tahara, Koji Amezawa, Yoshitaka Tateyama, Shigeo Mori, Akitoshi Hayashi
Summary: Controlling Li ion transport in glasses is crucial for developing all-solid-state batteries. Li3PS4 glass, a solid electrolyte candidate, shows a dynamic coupling effect between Li+ cation mobility and PS43- anion libration, known as the paddlewheel effect. Additionally, it exhibits a coordinated cation diffusion effect (cation-cation interactions) that enhances Li ion transport. The correlation between Li+ ions in the glass structure can be determined by evaluating their valence oscillations, providing insights for the development of new solid electrolytes.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Physical
Egon Campos dos Santos, Ryuhei Sato, Kazuaki Kisu, Kartik Sau, Xue Jia, Fangling Yang, Shin-ichi Orimo, Hao Li
Summary: The need for next-generation batteries is urgent. Divalent closo-type complex hydride (CTCH) electrolytes have been shown to offer valuable alternatives to lithium-ion technology. However, the complex structure of neutral molecules containing CTCHs poses challenges for understanding ionic diffusion mechanisms and designing high-performance batteries. This study combines a genetic algorithm and ab initio simulations to analyze cation diffusions in various CTCHs, leading to the development of structure-performance relationships and paving the way for precise modeling of complex materials.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
V. Charbonnier, R. Utsumi, Y. Nakahira, H. Enoki, K. Asano, H. Kim, T. Sato, S. Orimo, H. Saitoh, K. Sakaki
Summary: For high pressure MH compressor applications, it is important to understand the hydrogenation properties of MH forming compounds under high pressure and temperature conditions, which are still little studied. This study investigated a Ti0.90V0.30Mn1.00Ni0.80 compound with an AB2 structure using Sieverts' method, providing experimental evidence of the non-ideal behavior of hydrogen in the high-pressure region. The study also demonstrated the estimation of high-sorption pressures using low-pressure data and monitored the structural evolution of the compound under ultra-high hydrogen pressure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Yasuo Kameda, Yuko Amo, Takeshi Usuki, Kazutaka Ikeda, Takashi Honda, Toshiya Otomo
Summary: This study investigates the effect of intermolecular hydrogen bonds on the intramolecular O-D distance of methanol molecules in liquid state using time-of-flight neutron diffraction measurements and attenuated total reflection infrared spectra.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Yushi Fujita, Takuya Kimura, Minako Deguchi, Kota Motohashi, Atsushi Sakuda, Masahiro Tatsumisago, Hirofumi Tsukasaki, Shigeo Mori, Kazutaka Ikeda, Koji Ohara, Naoaki Kuwata, Koji Amezawa, Akitoshi Hayashi
Summary: All-solid-state lithium-ion batteries with flame-retardant inorganic solid electrolytes have great potential due to their high safety. Oxide-based solid electrolytes with high chemical stability and lithium-ion conductivity are attractive, and the development of new oxide-based solid electrolytes with high ionic conductivity and ductility is crucial for improving the overall performance of all-solid-state batteries.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Zhuanfang Jing, Yongquan Zhou, Toshio Yamaguchi, Koji Yoshida, Kazutaka Ikeda, Koji Ohara, Guangguo Wang
Summary: Ionhydration plays a crucial role in various fields, but the nature of ion hydration at the molecular level remains inconsistently understood. This study combines neutron scattering, wide-angle X-ray scattering, and molecular dynamics to systematically quantify the hydration ability of alkali metal and halide ions based on static and dynamic hydration numbers. The static hydration number is determined from positional information, while the dynamic hydration number measures the average number of water molecules in the first coordination shell of an ion over a residence time. These hydration numbers provide valuable insights for understanding different natural phenomena.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Akira Kudo, Kazuya Kanamaru, Jiuhui Han, Rui Tang, Kazuaki Kisu, Takeharu Yoshii, Shin-ichi Orimo, Hirotomo Nishihara, Mingwei Chen
Summary: This study reports the fabrication of hierarchically porous carbon microlattices (HPCMLs) using composite photoresin and stereolithography (SLA) 3D printing. The carbon microlattices have a hierarchical pore structure, including lattice architecture, macropores, mesopores, and micropores. The HPCMLs exhibit excellent mechanical properties and can be used as thick supercapacitor electrodes with high gravimetric and areal capacitances.
Article
Chemistry, Inorganic & Nuclear
Junjun Zhang, Fengchen Zhou, Aiming Huang, Yong Wang, Wei Chu, Wen Luo
Summary: In order to improve the performance of nickel-based catalysts in the oxygen evolution reaction, researchers developed a sandwiched Ni(OH)(2)/Cu/NF structure that enhances the conversion of Ni(OH)(2) into high-valence state Ni3+ species.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Materials Science, Multidisciplinary
Kartik Sau, Shigeyuki Takagi, Tamio Ikeshoji, Kazuaki Kisu, Ryuhei Sato, Shin-ichi Orimo
Summary: Using molecular dynamics (MD) simulations, we investigated the effect of cation size on the ordered-disordered phase-transition temperature (T-tran) and cationic diffusion in the complex hydride LiCB11H12. The results showed that introducing a large-size cation with high cell volume can lower T-tran by facilitating anionic rotation. The study also provided insights into cationic density distribution, bottlenecks in the cationic path, and the hopping mechanism with increasing cationic sizes.
MATERIALS ADVANCES
(2023)