Article
Chemistry, Physical
Qinfu Zhao, Jianpeng Guo, Mengyu Su, Bingbing Suo, Haiyan Zhu, Bo Zhou, Zhiyong Zhang, Qi Song
Summary: This study considers the influence of attempt frequency on ionic conductivity, calculates the attempt frequencies of carrier migrations in Na3OBH4 and Na3OBr using density functional theory, and investigates the effect of substituting Br- with the [BH4](-) anion on the conductivity of sodium cations.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
J. Lim, A. C. Hire, Y. Quan, J. Kim, L. Fanfarillo, S. R. Xie, R. S. Kumar, C. Park, R. J. Hemley, Y. K. Vohra, R. G. Hennig, P. J. Hirschfeld, G. R. Stewart, J. J. Hamlin
Summary: The study investigated the electrical resistivity and crystal structure changes of Be22Re compound under high pressure, revealing a gradual decrease in critical temperature T-c. Through density functional theory calculations and X-ray diffraction experiments, the influence of lattice stiffening on the decrease in T-c was elucidated.
Article
Chemistry, Multidisciplinary
Xiaotu Ma, Jiahui Hou, Panawan Vanaphuti, Zeyi Yao, Jinzhao Fu, Luqman Azhari, Yangtao Liu, Yan Wang
Summary: A new direct upcycling process is proposed, which converts spent polycrystalline Ni-lean cathodes into single-crystal Ni-rich cathodes using a one-step molten salt method. This method can be applied to mixed cathode streams without additional sorting and separating steps. The obtained upcycled cathode materials exhibit improved capacity and stability, demonstrating a pathway towards the sustainable development of LIBs.
Article
Chemistry, Multidisciplinary
Stefanie Schneider, Lucas G. Balzat, Bettina V. Lotsch, Wolfgang Schnick
Summary: A new crystalline lithium oxonitridophosphate with a structural motif of two P(O,N)(4) tetrahedra connected by an N atom has been synthesized and characterized. Its structure was determined by X-ray diffraction and corroborated by NMR, infrared spectroscopy, and elemental analyses. The new compound exhibits high ionic conductivity at low temperature.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Crystallography
Mohamad M. Ahmad, Fatimah R. Al-Ghareeb, Hicham Mahfoz Kotb, Sajid Ali Ansari, Tarek S. Kayed, Hassan A. Khater, Shalendra Kumar, Koji Yamada
Summary: In this study, we investigated the effect of Ga+3 substitutions on the Ta+5 sites in LLT-Ga lithium conducting garnets in order to enhance their ionic conductivity. The results showed that the concentration and mobility of Li+ ions increased with increasing Ga+3 content in the materials.
Article
Chemistry, Multidisciplinary
Yong-Jin Jang, Hyungeun Seo, Young-Su Lee, Sora Kang, Woosuk Cho, Young Whan Cho, Jae-Hun Kim
Summary: This study prepared solid electrolytes containing BH4- anions via a simple and fast method, showcasing high ionic conductivity. By investigating the local structure of lithium thiophosphate, it was found that the ionic conductivity can be influenced by changing the amount of LiBH4 and milling conditions.
Article
Chemistry, Physical
Valerio Gulino, Erika Michela Dematteis, Marta Corno, Mauro Palumbo, Marcello Baricco
Summary: This study investigated the thermodynamic stability and phase diagram of the LiBH4-LiBr system through a combination of experiments and theoretical calculations. The results provide important references for the research of novel solid electrolytes.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Ying Sun, Yanchao Wang, Xin Zhong, Yu Xie, Hanyu Liu
Summary: Compressed clathrate superhydrides are promising candidates for room-temperature superconductors. Recent studies have identified several ternary superhydrides with high-temperature superconductivity.
Article
Chemistry, Physical
Longtao Ren, Xin Cao, Yan Wang, Mingyue Zhou, Wen Liu, Haijun Xu, Henghui Zhou, Xiaoming Sun
Summary: A facile and scalable approach was developed to prepare 3D porous and Li-rich Sn-Li alloy scaffolds for homogeneous Li plating/stripping under high current density. The Li-rich Sn-Li alloy scaffolds not only guide uniform Li deposition without dendrites formation, but also replenish active Li to improve cycling stability.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Energy & Fuels
Nurul N. Sulaiman, Mohammad Ismail, Sharifah N. Timmiati, Kean L. Lim
Summary: This study investigated the preparation of the LiAlH4 + Mg(BH4)2 combined system using ball milling technique, revealing superior hydrogen storage performance compared to individual components. The addition of TiF3 significantly enhanced hydrogen storage properties by reducing the initial decomposition temperature and improving isothermal absorption/desorption kinetics. The catalytic role of TiF3 facilitated interactions between Mg(AlH4)2, MgH2, and LiBH4, enhancing de/hydrogenation performance of the destabilized system.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Qianyi Yang, Fuqiang Lu, Yulin Liu, Yijie Zhang, Xiujuan Wang, Yuepeng Pang, Shiyou Zheng
Summary: The study reports the preparation of solid electrolytes with high Li-ion conductivity by nanoconfining Li-2(BH4)(NH2) in mesoporous silica molecular sieves using a melting-infiltration approach. The solid electrolyte exhibits excellent electrochemical stability, Li-ion conductivity, and cycling performance in Li|Li-2(BH4)(NH2)@SBA-15|TiS2 cells.
Article
Chemistry, Multidisciplinary
Han-xin Wei, Yu-ming Liu, Yu-hong Luo, Ying-de Huang, Lin-bo Tang, Zhen-yu Wang, Cheng Yan, Jing Mao, Ke-hua Dai, Qing Wu, Xia-hui Zhang, Jun-chao Zheng
Summary: This study proposes a solid acid modification strategy and investigates its underlying mechanism. The spinel phase suppresses the irreversible loss of lattice oxygen by decreasing the O 2p non-bonding energy level and enriching electrons. The modified material shows reduced irreversible lattice oxygen release and improved electrochemical performance.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Md Mominul Islam, Abdullah Al Maruf, Jyotshna Pokharel, Yue Zhou
Summary: A novel superhalogen-based double antiperovskite solid-state electrolyte, Li6OS(BH4)(2), has been successfully synthesized and demonstrated excellent cyclic performance and long lifespan. It has a large bulk modulus and wide electronic bandgap, making it a competitive candidate for solid-state electrolyte in Li-ion battery applications.
MRS COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
V. S. Minkov, S. L. Bud'ko, F. F. Balakirev, V. B. Prakapenka, S. Chariton, R. J. Husband, H. P. Liermann, M. Eremets
Summary: In recent years, the transition temperature Tc of hydrogen-rich compounds has significantly increased and is now close to room temperature. However, the high pressures required for stability of these materials limit experimental studies. While superconductivity in hydrides has mainly been explored through electrical transport measurements, the magnetic properties, an important characteristic of superconductors, have not been well defined. In this study, the authors developed SQUID magnetometry under extreme high-pressure conditions to investigate the superconducting parameters of Im-3m-H3S and Fm-3m-LaH10, two representative families of high-temperature superconducting hydrides.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Angelina Gigante, Noemi Leick, Andrew S. Lipton, Ba Tran, Nicholas A. Strange, Mark Bowden, Madison B. Martinez, Romain Moury, Thomas Gennett, Hans Hagemann, Tom S. Autrey
Summary: The addition of activated MgH2 significantly improves the efficiency of Mg(B3H8)(2) conversion to BH4- and reduces B-losses. The system can selectively convert at moderate temperature (200 degrees C) in a short period of time, showing great potential for energy storage applications.
ACS APPLIED ENERGY MATERIALS
(2021)
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
Biochemistry & Molecular Biology
Toyoto Sato, Hiroyuki Saitoh, Reina Utsumi, Junya Ito, Yuki Nakahira, Kazuki Obana, Shigeyuki Takagi, Shin-ichi Orimo
Summary: In this study, the hydrogen absorption reaction of LaNi5 under high pressures above 1 GPa was investigated, and it was found that LaNi5 absorbed 2.07% hydrogen at 6 GPa, indicating a higher hydrogen storage capacity compared to reactions below 1.0 MPa. Additionally, the hydrogen-absorbed LaNi5Hx decomposed into NiH under high-pressure conditions, and a new hydride phase with different crystal parameters was observed.
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, Physical
Kazutaka Ikeda, Takuya Kimura, Koji Ohara, Toyoto Sato, Hidetoshi Ohshita, Atsushi Sakuda, Akitoshi Hayashi
Summary: Sodium solid electrolytes are considered preferable to lithium solid electrolytes for all-solid-state lithium-ion batteries. The heat treatment of Na3PS4 glass ceramics can greatly enhance the ionic conductivity, with vacancies in the ceramic material playing a crucial role in promoting Na ion conduction. The control of vacancies in solid electrolytes is essential for the design of practical all-solid-state sodium batteries.
JOURNAL OF PHYSICAL CHEMISTRY C
(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
Chemistry, Multidisciplinary
Kazuaki Kisu, Rana Mohtadi, Shin-i. Orimo
Summary: Rechargeable Ca metal batteries have advantageous features for potential alternatives to Li-ion batteries, such as high energy density, cost-effectiveness, and natural elemental abundance. However, challenges in passivating Ca metal by electrolytes and a lack of efficient cathode materials with Ca2+ storage capabilities hinder the development of practical Ca metal batteries. In this study, the feasibility of using a CuS cathode and a tailored electrolyte for Ca metal batteries is confirmed, leading to a Ca metal battery with long cycle life and high capacity retention. This study can expedite the development of Ca metal batteries.
Article
Chemistry, Inorganic & Nuclear
Filippo Peru, Seyedhosein Payandeh, Torben R. Jensen, Georgia Charalambopoulou, Theodore Steriotis
Summary: A composite material of 0.71 LiBH4-0.29 NaBH4 and CMK-3 carbon with nanopores was successfully synthesized, showing improved hydrogen absorption-desorption kinetics. After five cycles, the composite maintained a consistent uptake of about 3.5 wt.% H-2. The enhanced kinetics were attributed to carbon-hydride surface interactions and the heat transfer capability of the carbon support. The nanopore confinement may also contribute to the improved reversibility.
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, 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, Physical
Daniele De Caro, Michele Maria Tedesco, Jaume Pujante, Andrea Bongiovanni, Giovanni Sbrega, Marcello Baricco, Paola Rizzi
Summary: Sustainability is a crucial value for our society, and aluminum alloys are promising materials for achieving sustainability goals due to their strength and lightweight. However, the production of aluminum alloys emits a high amount of CO2. Therefore, the study and development of aluminum alloys with increased scrap content are essential. This study compared two sheet-aluminum 6181 alloys with different scrap content and a 6181 alloy from primary production. Results showed that secondary production alloys contained higher amounts of manganese, iron, and copper. The metallurgical and mechanical behaviors were similar to the primary produced alloy, but a decrease in formability was observed in high scrap content aluminum alloys.
Review
Materials Science, Multidisciplinary
Michele Maria Tedesco, Daniele De Caro, Paola Rizzi, Marcello Baricco
Summary: In this review, we compared nine different chemical compositions and several heat treatments of quenching and partitioning steels, and correlated these parameters with reported mechanical properties. We also considered sustainability and circular economy approaches for applications in the automotive sector, providing guidance for lightweighting and decarbonization of the steel industry.
Article
Chemistry, Physical
Jakob B. Grinderslev, Lasse N. Skov, Torben R. Jensen
Summary: Utilization of next-generation all-solid-state lithium batteries requires new fast Li-ion conducting solid electrolytes. LiBH4-based materials have shown promising high ionic conductivity at room temperature. A new compound, hemi-methylamine lithium borohydride (LiBH4 & BULL;1/2CH(3)NH(2)), with a crystal structure consisting of two-dimensional layers, has been discovered. This compound exhibits high lithium ion conductivity and electrochemical stability, making it suitable for battery operation. However, it is incompatible with layered TiS2 cathode, limiting its full charging potential.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
