Article
Chemistry, Physical
Irina Anokhina, Olga Pavlenko, Natal'ya Proskurnina, Alexander Dedyukhin, Irina Animitsa
Summary: This study investigates the electrical properties and chemical stability of Mg2+-doped Gd2Zr2O7 ceramics with pyrochlore structure in a lithium chloride melt, revealing their superior ionic conductivity and high-temperature stability.
Article
Chemistry, Physical
Chongyang Zhou, Yigang Yan, Torben R. Jensen
Summary: The introduction of LiBH4 into Li2B12H12-5Li(2)B(10)H(10) improves its electrochemical window to 3.0 V and Li-ion conductivity to 1.0 x 10(-4) S cm(-1) at room temperature. Moreover, the Li(2)B(12)H(12)-5Li(2)B(10)H(10)-6LiBH(4) electrolyte exhibits good compatibility with a metallic Li anode and TiS2 cathode, allowing stable operation of the all-solid-state cell for 120 cycles with high capacity and coulombic efficiency. This work demonstrates the potential of a hydroborate electrolyte for the development of high voltage all-solid-state batteries.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Electrochemistry
Youtaro Sakamoto, Akihiro Ishii, Takashi Shiratori, Itaru Oikawa, Hitoshi Takamura
Summary: Researchers developed a composite electrolyte consisting of conductive Li7La3Zr2O12 (LLZ) and sintering-free LiBH4, which is compatible with Li metal anodes. LLZ powder prepared by hand milling produced dense LLZ-LiBH4 composite. The LLZ-LiBH4 composite did not form secondary phases at a magic-angle-spinning nuclear magnetic resonance level. LiBH4 filled the space between LLZ particles up to a volume fraction of LLZ to 0.8, and the total ionic conductivity increased with increasing LLZ fraction. The LLZ-LiBH4 composite exhibited 670 times higher room-temperature ionic conductivity than LiBH4 alone. The Li+ conduction behavior of the LLZ-LiBH4 composite changed by the phase transition of LiBH4 to a high-temperature conductive phase. The current tolerance of Li|LLZ-LiBH4 composite|Li cell was comparable to that of a cell using a well-sintered LLZ electrolyte, indicating its potential use with Li metal anode.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Multidisciplinary
Tao Deng, Longsheng Cao, Xinzi He, Ai-Min Li, Dan Li, Jijian Xu, Sufu Liu, Panxing Bai, Ting Jin, Lin Ma, Marshall A. Schroeder, Xiulin Fan, Chunsheng Wang
Summary: The study addresses the challenges faced by CPEs in SSLBs through the design of a LiF-rich SEI, which improves ionic conductivity and oxidation stability while reducing interfacial resistance and allowing for high critical current density. The fabricated SSLBs show exceptional electrochemical performance and long cycling stability, demonstrating the potential for this SEI design approach to be applied to other battery types.
Article
Chemistry, Physical
Kosma Szutkowski, Dominika Tubacka, Patryk Florczak, Danuta Kruk
Summary: Lithium diffusion pathways in three dimensions were determined using molecular dynamics simulations and 7Li PGSE NMR diffusometry. Lithium ions arrange in hexagonally arranged columns on (001) surfaces, with jumps characterized by zig-zag patterns. Diffusion is faster along the [001] direction compared to the (001) planes. The activation energies for diffusion in both directions were determined to be between 105 and 130 degrees C. Pre-exponential factors for diffusion coefficients were also determined.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Kosma Szutkowski, Dominika Tubacka, Patryk Florczak, Danuta Kruk
Summary: This study determined the diffusion pathways of lithium ions in three dimensions using molecular dynamics simulations and NMR diffusometry. The results showed that lithium ions arrange in hexagonally arranged columns on (001) surfaces and exhibit zig-zag patterns during diffusion. The diffusion in the [001] direction is faster than in the (001) planes. The study also identified the activation energies and pre-exponential factors for the diffusion coefficients, providing insights into the mechanism of lithium ion diffusion.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Yiqi Wei, Zhenglong Li, Zichong Chen, Panyu Gao, Mingxi Gao, Chenhui Yan, Zhijun Wu, Qihang Ma, Yinzhu Jiang, Xuebin Yu, Xin Zhang, Yongfeng Liu, Yaxiong Yang, Mingxia Gao, Wenping Sun, Zhiguo Qu, Jian Chen, Hongge Pan
Summary: The use of solid-state electrolytes in all-solid-state batteries is a promising technology for increasing energy densities. However, issues with oxidative stability and dendrite growth hinder their practicality. LiBH4 is considered a promising candidate due to the thermodynamic stability of Li. In this study, an in situ melting reaction is proposed to generate covalently bonded coordination on the particle surfaces of electrolytes, which effectively resolves these issues.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Wei Liu, Guanjie Lu, Zuguang Yang, Qiannan Zhao, Xiaolin Hu, Dan Wu, Zongyang Li, Ronghua Wang, Shikuan Sun, Chaohe Xu
Summary: The lithiophilic Ni-Al@LDH interlayer engineered at the LLZTO electrolyte and Li anode interface significantly reduces interfacial resistance and improves cycling performance in both symmetric Li//Li cells and solid full lithium metal batteries.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Yutong Li, Shitong Wang, Zunqiu Xiao, Jin Leng, Zhongtai Zhang, Tao Gao, Zilong Tang
Summary: Developing new oxide solid electrolytes is crucial for high-performance solid-state Li-ion batteries. This study demonstrates that confined water can enhance Li-ion transport without compromising the stability window of solid electrolytes. Quaternary compounds with confined water exhibit higher ionic conductivity and similar stability to water-free compounds, showing promise for their application as solid electrolytes. Additionally, confining water in solid crystal structures provides new design freedoms for ceramic materials, opening up opportunities for addressing critical problems in engineering fields.
Article
Chemistry, Multidisciplinary
Misae Otoyama, Kentaro Kuratani, Hironori Kobayashi
Summary: The study successfully enhanced the ionic conductivity of sulfide solid electrolytes by adding LiI and Li3PS4 through mechanochemical treatment, while maintaining air stability.
Review
Chemistry, Physical
Darren H. S. Tan, Ying Shirley Meng, Jihyun Jang
Summary: Significant progress has been made in the field of all-solid-state batteries (ASSBs) in recent years, but there are still many technical challenges to overcome before commercialization. The key challenge lies in transitioning from laboratory-scale to pilot-scale production. Current research is often limited to form factors that are impractical for actual device operation. This article provides a perspective on the scalability challenges and considerations for ASSBs, and offers baseline fabrication and evaluation protocols. It also discusses the importance of bridging the development gap between university-level research and industry-scale production through collaboration with national laboratories.
Article
Multidisciplinary Sciences
Benjamin J. Morgan
Summary: This article provides an overview of the research progress on fast-ion conduction in solid materials, discussing the impacts of factors such as ion-ion interactions, crystal structure characteristics, and microscopic ion diffusion on fast-ion conduction. It showcases the forefront of research on fast-ion conducting solid electrolytes.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Xiao Zhang, Xiaoyun Li, Suting Weng, Siyuan Wu, Qiuyan Liu, Mengyan Cao, Yejing Li, Zhenyu Wang, Lingyun Zhu, Ruijuan Xiao, Dong Su, Xiqian Yu, Hong Li, Liquan Chen, Zhaoxiang Wang, Xuefeng Wang
Summary: The problems of humidity sensitivity and instability to high-voltage oxide cathodes in sulfide electrolytes are solved by constructing a Li2CO3 interface, leading to enhanced electrochemical performance of all-solid-state batteries.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Physical
Kazuaki Kisu, Arunkumar Dorai, Sangryun Kim, Riku Hamada, Akichika Kumatani, Yoshiko Horiguchi, Ryuhei Sato, Kartik Sau, Shigeyuki Takagi, Shin-ichi Orimo
Summary: This work investigates the divalent conduction of Zn2+ and Mg2+ in hydrated closo-type complex hydrides and the effects of crystal water exchange in enhancing divalent ionic conduction. The study finds that ZnB12H12·12H2O and MgB12H12·12H2O exhibit exceptional ionic conductivities and show potential applications in solid-state ion batteries.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Donggun Lee, Kern-Ho Park, So Yeun Kim, Jae Yup Jung, Wonrak Lee, KyungSu Kim, Goojin Jeong, Ji-Sang Yu, Jungkyu Choi, Min-Sik Park, Woosuk Cho
Summary: The study proposed the addition of zeolite to Li6PS5Cl to enhance its resistance to moisture and H2S generation, thus improving the cycle performance of all-solid-state batteries and helping to address the technical challenges associated with sulfide-based SEs in commercial applications.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Laura M. de Kort, Oscar E. Brandt E. Corstius, Valerio Gulino, Andrei Gurinov, Marc Baldus, Peter Ngene
Summary: Sodium-based complex hydrides have gained attention as electrolytes for all-solid-state batteries due to their light weight and high electrochemical stability. Nanocomposite formation with metal oxides has been found to enhance the ionic conductivity, not only due to the formation of a space charge layer but also as a result of interface reactions between the metal hydrides and oxides. Detailed structural characterization reveals that the disparity in conductivity originates from the formation of different tertiary interfacial compounds. These findings provide insights for the preparation of highly conductive nanocomposite electrolytes by optimizing interface interactions.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Erika Michela Dematteis, Jussara Barale, Giovanni Capurso, Stefano Deledda, Magnus H. Sorby, Fermin Cuevas, Michel Latroche, Marcello Baricco
Summary: Hydrogen, an efficient energy carrier produced from renewable sources, plays a vital role in the transition towards CO2-free energy. This study focuses on Ti-rich Ti(Fe,Mn)0.90 alloys and their deuterides, determining their crystal structure and analyzing the influence of Mn substitution on structural properties during reversible deuterium loading. The research provides valuable insights into hydrogen storage, structural knowledge, and the application of TiFe-type alloys in integrated hydrogen tank for energy storage systems.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Jussara Barale, Federico Nastro, Davide Violi, Paola Rizzi, Carlo Luetto, Marcello Baricco
Summary: This study comprehensively presents the on-site compression of green hydrogen using metal hydrides, including the setup of a metal hydride compressor and the energy consumption and efficiency considerations. The compressor achieves compression of hydrogen from 28 bar to 250 bar, with high isentropic efficiency and average hydrogen flowrate.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(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
Federica Bravetti, Raffaele E. E. Russo, Simone Bordignon, Angelo Gallo, Federica Rossi, Carlo Nervi, Roberto Gobetto, Michele R. R. Chierotti
Summary: Computational approaches like Crystal Structure Prediction (CSP) have been increasingly used in crystal structure determination, providing insights into the packing of atoms and molecules in the solid state without diffraction data. The coupling of CSP with solid-state NMR (SSNMR) enhances the accuracy and performance of the predictive method, known as CSP-NMRX. This paper successfully applies CSP-NMRX to determine the crystal structure of pyridine dicarboxylic acid isomers, using mono- and bidimensional SSNMR spectra and RMSEs between experimental and computed chemical shifts.
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
Federica Bravetti, Lukas Tapmeyer, Kathrin Skorodumov, Edith Alig, Stefan Habermehl, Robert Huehn, Simone Bordignon, Angelo Gallo, Carlo Nervi, Michele R. Chierotti, Martin U. Schmidt
Summary: Leucopterin, a white pigment found in butterflies and insects, has a variable hydrate structure with 0.1 to 0.5 molecules of water per leucopterin molecule. The crystal structure of leucopterin was determined using techniques such as powder diffraction and solid-state NMR spectroscopy. The high density of leucopterin may contribute to the light-scattering properties of butterfly wings.
Article
Chemistry, Physical
Annalisa Ferrarotti, Elisa Vittoria Ghiggini, Riccardo Rocca, Matteo Dotoli, Federico Scaglione, Claudio Errigo, Giancarlo Marchiaro, Marcello Baricco
Summary: Mathematical modelling and software simulation are effective tools for understanding and predicting corrosion processes. The COMSOL Multiphysics 5.6 software provides validated mathematical models for predicting and preventing corrosion. This study compared simulation results with laboratory tests to investigate the corrosion of zinc-coated steel sheets. The results of mathematical modelling and empirical tests allow estimation of the stability of the protective zinc layer over time. Discrepancies between analytical methods led to modifications in the model for better coherence with experimental data. A computational model of corrosion phenomena in an automotive component was developed, which could potentially replace time-consuming and expensive laboratory tests.
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
Valerio Gulino, Alessandro Longo, Laura M. de Kort, Hendrik P. Rodenburg, Fabrizio Murgia, Matteo Brighi, Radovan Cerny, Christoph J. Sahle, Martin Sundermann, Hlynur Gretarsson, Frank de Groot, Peter Ngene
Summary: Solid-state sodium ion conductors are important for high-capacity, low-cost, and improved-safety all-solid-state sodium batteries. Sodium closo-carbadodecaborate (NaCB11H12) is an attractive Na-ion conductor with high thermal and electrochemical stability. Mechanical milling can greatly increase the conductivity of NaCB11H12, but prolonged milling leads to a decrease in conductivity due to the increased proximity of Na+ to the CB11H12- cage. X-ray Raman scattering (XRS) spectroscopy is used to probe the origin of this anomalous impact, providing valuable information on the electronic structure of solid electrolytes and battery materials.
Article
Biochemistry & Molecular Biology
Alice Barbero, Laura Rotundo, Chiara Reviglio, Roberto Gobetto, Romana Sokolova, Jan Fiedler, Carlo Nervi
Summary: This study investigated the behavior of different Mn and Re catalysts for electrochemical CO2 reduction using IR spectroelectrochemistry. The results showed that CO2 could be catalytically reduced in acetonitrile even without proton donors, although at negative potentials. However, the presence of proton donors significantly enhanced the catalytic conversion.