Article
Chemistry, Inorganic & Nuclear
Mustafa M. Kadhim, Mohammed Abdul Hadi, Safa K. Hachim, Sallah Ahmed Abdullaha, Zainab Sabri Abbas, Ahmed Mahdi Rheima
Summary: The C2N monolayer has exceptional properties and is widely used in catalysis and metal-ion batteries. However, the impurity and deficiency of the C2N monolayer in experiments hinder its mechanistic investigation and further development. In this study, DFT calculations are performed to study the mechanisms of the C2N monolayer as an efficient anode material for magnesium ion batteries, and a new particle pair adsorption model is proposed.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Jinglian Zhu, Xu Zhang, Haiguang Gao, Yuting Shao, Yana Liu, Yunfeng Zhu, Jiguang Zhang, Liquan Li
Summary: Rechargeable magnesium batteries face challenges due to strong coulombic effects, but this study presents a high-performance system using hierarchical nano-micro hybrids to improve accessibility and reduce charge transfer resistance, achieving high discharge capacity, outstanding rate performance, and excellent cycling performance.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Multidisciplinary
Jinyun Liu, Yan Zhong, Xuelian Li, Tongxin Ying, Tianli Han, Jinjin Li
Summary: The novel rose-with-thorn ternary MoS2@C@polyaniline (PANI) nanocomposite developed in this study demonstrates a good capacity of 114 mA h g(-1) after 100 cycles of use, with recoverable rate-performance. Additionally, stable capacity of 105 mA h g(-1) at -5 degrees C suggests promising applications in low temperature conditions.
NANOSCALE ADVANCES
(2021)
Article
Chemistry, Physical
Jiuli Chang, Wenfang Liang, Wenyu Wang, Dapeng Wu, Kai Jiang, Gongke Wang, Fang Xu, Zhiyong Gao
Summary: In this study, oxygen vacancy-enriched Bi2O3 was prepared as the negative material for aqueous alkaline batteries, improving the energy and power densities of the batteries and demonstrating the potential of oxygen vacancy-enriched Bi2O3 in battery-type energy storage.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Anna Roslawska, Pablo Merino, Abhishek Grewal, Christopher C. Leon, Klaus Kuhnke, Klaus Kern
Summary: By using a low-temperature scanning tunneling microscope, fluctuations in plasmonic electroluminescence at the single-atom limit were studied, revealing changes in electroluminescence intensity due to spontaneous modifications from minute atomic rearrangements at or near the contact. This research is relevant for understanding the processes leading to spontaneous intensity variations in plasmon-enhanced atomic-scale spectroscopies.
Article
Nanoscience & Nanotechnology
Jianyuan Li, Cong Lin, Mouyi Weng, Yi Qiu, Pohua Chen, Kai Yang, Weiyuan Huang, Yuexian Hong, Jian Li, Mingjian Zhang, Cheng Dong, Wenguang Zhao, Zhi Xu, Xi Wang, Kang Xu, Junliang Sun, Feng Pan
Summary: Layered lithium cobalt oxide is a successful commercial cathode material in lithium-ion batteries, but its structural instability at high potentials poses challenges. By using advanced electron diffraction methods and high-resolution transmission electron microscopy, researchers have identified that the curvature of cobalt oxide layers near the surface plays a crucial role in determining the structural stability and electrochemical performance of the material. This atomistic understanding of structure-performance relationships provides valuable insights for designing new cathode materials with superior stability at high voltages.
NATURE NANOTECHNOLOGY
(2021)
Article
Chemistry, Physical
Dylan Wilkinson, Manik Bhosale, Marco Amores, Gollapally Naresh, Serena A. Cussen, Graeme Cooke
Summary: This study presents a novel organic cathode material, BAQIT, with excellent performance in both lithium and sodium-ion batteries, demonstrating high capacity, low solubility, and high power capabilities.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
D. F. Shi, C. Y. Wang, C. M. Cepeda-Jimenez, M. T. Perez-Prado
Summary: This study investigated the interaction between basal dislocations and ultrafine basal disk-shaped precipitates, as well as the interactions between twin boundaries and precipitates, in a Mg-1Mn-1Nd-3Zn alloy. The experimental approach involved micropillar compression and high resolution transmission electron microscopy. The results showed a novel mechanism of interaction between particles and dislocations, as well as the dependency of twin-precipitate interactions on the twin boundary plane. These interactions led to different deformation behaviors depending on the conditions.
Article
Energy & Fuels
Kaile Peng, Zhongwei Deng, Zhibin Bao, Xiaosong Hu
Summary: An accurate estimation of the maximum capacity is crucial for ensuring the safety and reliability of lithium-ion batteries (LIBs). This paper proposes a novel health indicator (HI) derived from the partial constant current discharging capacity curves, which shows a high correlation with the maximum capacity. The Gaussian process regression (GPR) is used to capture the mapping relationship between the HI and the maximum capacity. The method is verified on a dataset generated from aging tests of eight 105 Ah batteries, showing accurate estimation of the maximum remaining capacity.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Physical
Xiang Ba, Yierxiati Dilixiat, Yaya Wan, Xinglei Wan, Wei Li, Xinze Lu, Xiaoyan He
Summary: In this study, Na2Li2Ti6O14 was successfully synthesized via the sol-gel method as an anode material for magnesium ion batteries (MIBs). The material exhibited excellent electrochemical properties, including long cycle life, high Coulombic efficiency, and superior rate performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Energy & Fuels
Lukas Mauler, Fabian Duffner, Jens Leker
Summary: Exploiting economies of scale in battery production is essential to reducing high battery costs and advancing the battery industry towards a long-term climate-neutral society. Current battery literature lacks consensus on optimal plant sizes, indicating a need for further research in this area.
Article
Chemistry, Multidisciplinary
Dingyue Zhuang, Yuanyuan Zhang, Ruhan He, Jingke Ren, Qi Li, Liqiang Mai, Liang Zhou
Summary: SiOx-based anode materials have attracted attention for lithium storage due to their natural abundance, low cost, and high capacity. However, their practical application remains challenging. This study presents a SiOx/MoSi2-based anode material with good cyclability and rate performance. A full cell based on this material exhibits high capacity and long-term durability.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Materials Science, Multidisciplinary
X. Z. Jin, C. Y. Wang, S. Milenkovic, I. Sabirov, I. J. Beyerlein, M. T. Perez-Prado
Summary: This study investigates the influence of solute segregation on the twin activity of aged Mg alloys. The authors examine the binary Mg-8Al alloy and two ternary Mg-8Al-1 Zn and Mg-8Al-1Ag alloys. They find that while the binary alloy shows no significant changes in twin activity after precipitation, the aged ternary alloys exhibit a drastic reduction in twin activity, possibly due to the decrease of particle-matrix interface energy caused by Zn and Ag segregation.
Article
Chemistry, Multidisciplinary
Chaewon Kim, Useul Hwang, Sangjin Lee, Young-Kyu Han
Summary: This study explores the potential of amorphous Ge anodes in multivalent-ion batteries and finds that compounds formed by Ge alloying with Mg and Ca exhibit higher capacities. Among them, the Mg-Ge system shows a smaller volume expansion ratio and higher ion diffusivity, which may be attributed to the coordination number of the Ge host atoms and the smaller atomic size of Mg.
Review
Electrochemistry
Hui Zhang, Yashi Wang, Shilong Guo, Yiqing Hui, Hanyue Wei, Jianjun Song, Xiaoxian Zhao
Summary: This paper summarized the preparation techniques of MoS2 hollow structural materials with different dimensions, including the hard template, soft template, self-template, and template-free approaches. The 0D hollow MoS2 exhibits improved diffusion kinetics of ions and electrons and restricts the stacking of MoS2. In addition, the 1D and 3D hollow MoS2 provide oriented electron diffusion and perforative pores for electrolyte permeation and more active sites, resulting in excellent rate capability and cycling stability. This paper provides inspiration for constructing MoS2 hollow structural materials and offers constructive suggestions for synthesizing hollow materials with excellent electrochemical performance.
BATTERIES & SUPERCAPS
(2023)
Article
Chemistry, Multidisciplinary
Yulia A. Kondratenko, Daria A. Zavyalova, Maxim Y. Arsentev, Andrey A. Zolotarev, Evgenii I. Sysoev, Valery L. Ugolkov, Tatyana A. Kochina
Summary: Metal-organic frameworks (MOFs) are a promising class of coordination compounds. In this study, MOFs containing polydentate pyromellitate and hydroxyalkylamine ligands were synthesized using a two-step approach. The synthesized complexes showed potential as adsorbents for lead ions.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Sergey N. Volkov, Valentina A. Yukhno, Rimma S. Bubnova, Sergey M. Aksenov, Alexey V. Povolotskiy, Dmitri O. Charkin, Maxim Yu Arsent'ev, Valery L. Ugolkov, Maria G. Krzhizhanovskaya
Summary: We report the results of a structural reinvestigation and a more plausible solution for an acentric barium borate. The crystals of this compound exhibit pseudomerohedral twinning, resulting in a complex diffraction pattern. The new structure solution reveals that BaB8O13 is the most complex octaborate, with a boron-oxygen framework consisting of various borate groups. The synthesized crystals were characterized by various methods and showed unique properties such as negative thermal expansion.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Jinniu Chen, Yang Yang, Yushu Tang, Yifan Wang, Hang Li, Xianghui Xiao, Suning Wang, Mariyam Susana Dewi Darma, Martin Etter, Alexander Missyul, Akhil Tayal, Michael Knapp, Helmut Ehrenberg, Sylvio Indris, Weibo Hua
Summary: The provided lithium content can create a self-protective disordered surface which alleviates oxygen loss and suppresses detrimental phase transitions.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Ceramics
R. S. Bubnova, A. P. Shablinskii, S. Yu Stefanovich, M. Yu Arsent'ev, M. G. Krzhizhanovskaya, B. I. Lazoryak, V. L. Ugolkov, S. K. Filatov
Summary: This paper presents the synthesis, crystal structure, and characterization of several new noncentrosymmetric rare-earth borates of the gaudefroyite family Sr2MBi(REEO)3(BO3)4 (M = Ca, Sr, Ba; REE = Y, Eu). Sr2MBi (YO)3(BO3)4 (M = Ca, Sr, Ba) borates were synthesized through multi-step solid state reactions. The crystal structures of Sr3Bi(YO)3(BO3)4, Sr2CaBi(YO)3(BO3)4, and Sr2BaBi(YO)3(BO3)4 were refined and their thermal expansion coefficients were calculated. Second-harmonic generation measurements showed an increase in the nonlinear optical activity of the materials when Sr was partially substituted with Ca and Ba, and a decrease when Y atoms were replaced by Eu.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Sergey N. Volkov, Dmitri O. Charkin, Vera A. Firsova, Lev S. Manelis, Alexander M. Banaru, Alexey Povolotskiy, Valentina A. Yukhno, Maxim Yu. Arsent'ev, Yevgeny Savchenko, Valery L. Ugolkov, Maria G. Krzhizhanovskaya, Rimma S. Bubnova, Sergey M. Aksenov
Summary: Using glass crystallization and solid-state techniques, a family of salt-inclusion silver halide borates, Ag4B7O12X, was successfully synthesized and characterized. The study revealed strong anharmonicity of thermal vibrations in the silver atoms in all structures. As the halide member changed, the melting point decreased, the configuration entropy decreased, and the thermal expansion, anisotropy, and thermal vibration anharmonicity increased, indicating a decrease in stability.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Andrey. V. V. Petrov, Alexey. K. K. Ivanov-Schitz, Igor. V. V. Murin
Summary: The structural and ionic transport properties of low-index undoped ZrO2/CeO2 interfaces are simulated using density functional theory (DFT). The results show partial melting of the oxygen subsystem and significant disordering of the oxygen layers between the layers of zirconium and cerium atoms. This leads to anomalously high ionic diffusion in simple undoped oxide phases with the fluorite structure.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Suning Wang, Tian Zhao, Jinniu Chen, Alexander Missyul, Laura Simonelli, Laijun Liu, Fujun Li, Xiangyang Kong, Weibo Hua
Summary: Li- and Mn-rich layered oxides (LMLOs) are promising cathode materials with high discharge capacity for Li-ion batteries. The first-cycle voltage decay in LMLOs is caused by the disappearance of the honeycomb superstructure of the layered structure. Comparing the structural evolution of different LMLOs, it was found that the continuous increase of lattice strain leads to the voltage loss in Li[Li0.2Ni0.2Mn0.6]O-2 (LLNMO), while the accumulated lattice strain in LiNi0.8Co0.1Mn0.1O2 (NCM811) and LiNi0.6Co0.2Mn0.2O2 (NCM622) can be released during discharge.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Energy & Fuels
Jordi Jacas Biendicho, Pedro Mazaira, Hemesh Avireddy, Chaoqi Zhang, Pengyi Tang, Alexander Missyul, Lluis Trilla, Jordi Arbiol, Joan Ramon Morante, Andreu Cabot
Summary: A new cathode material, FeS2-decorated carbon nanofiber (CNF), has been proposed for Li-S batteries to enhance the cycling stability typically displayed by sulfur composites. The composite material shows a complex architecture with a CNF matrix hosting the sulfur and FeS2 nanoparticles acting as a catalyst. The FeS2-decorated CNF cathode delivers high discharge capacities and stable capacity retention, making it highly promising for the next generation of electrochemical energy storage devices.
Article
Chemistry, Physical
Carmen Tebar-Soler, Vlad Martin-Diaconescu, Laura Simonelli, Alexander Missyul, Virginia Perez-Dieste, Ignacio J. Villar-Garcia, Jean-Blaise Brubach, Pascale Roy, Miguel Lopez Haro, Jose Juan Calvino, Patricia Concepcion, Avelino Corma
Summary: The utilization of CO2 as a carbon source and surplus renewable energy for generating methane fuel allows for the decarbonization and substitution of fossil fuels. A solid catalyst synthesized using a mild hydrothermal synthesis method exhibits excellent catalytic activity and selectivity for methane conversion at lower temperatures than conventional catalysts, with long-term stability. This catalyst can operate under intermittent power supply conditions, making it compatible with renewable energy-based electricity production systems.
Article
Chemistry, Multidisciplinary
Qiang Fu, Bjoern Schwarz, Ziming Ding, Angelina Sarapulova, Peter G. Weidler, Alexander Missyul, Martin Etter, Edmund Welter, Weibo Hua, Michael Knapp, Sonia Dsoke, Helmut Ehrenberg
Summary: Polyanion-type phosphate materials, like M3V2(PO4)(3) (M = Li/Na/K), show promise as negative electrodes for monovalent-ion batteries. However, understanding the reaction mechanisms during monovalent-ion insertion remains a challenge.
Article
Chemistry, Multidisciplinary
Sergey Volkov, Maxim Arsent'ev, Valery Ugolkov, Alexey Povolotskiy, Yevgeny Savchenko, Maria Krzhizhanovskaya, Rimma Bubnova, Sergey Aksenov
Summary: The incommensurately modulated structures of bismuth oxyhalide borates, Bi4BO7X (X = Cl and Br), are similar to the previously reported oxyiodide and consist of alternating litharge-related [Bi4O4](4+) layers of edge-sharing OBi4 tetrahedra. The X- and BO33- anions are arranged in the interlayer space in a specific sequence. The incommensurate structure is deceptively close to a commensurate fourfold a x b x 4c superstructure, but accurate analysis of diffraction data reveals its incommensurate nature. The stability of the a x b x 4c superstructure of Bi4BO7Br under ambient conditions can be predicted based on DFT calculations.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2023)
Article
Chemistry, Physical
Zhiwei Jing, Suning Wang, Qiang Fu, Volodymyr Baran, Akhil Tayal, Nicola P. M. Casati, Alexander Missyul, Laura Simonelli, Michael Knapp, Fujun Li, Helmut Ehrenberg, Sylvio Indris, Chongxin Shan, Weibo Hua
Summary: Li-rich Ni-rich Li1.08Ni0.9Mn0.1O2 oxides with core-shell architecture were synthesized to improve their high-voltage cyclability. The thermally-driven atomic interdiffusion between the Mn-rich shell and the Ni-rich core formed a thickness-controllable Li-rich Mn-rich shell, ensuring exceptional structural reversibility for the layered Li-rich Ni-rich core in long-term cycling. The optimized core-shell Li1.08Ni0.9Mn0.1O2 achieved a capacity retention of 96% after 100 cycles at 0.1 C in the voltage range of 2.7-4.6 V, providing a new avenue for rational design of advanced cathode materials for LIBs and beyond.
ENERGY STORAGE MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Qiang Fu, Bingrui Guo, Weibo Hua, Angelina Sarapulova, Lihua Zhu, Peter G. G. Weidler, Alexander Missyul, Michael Knapp, Helmut Ehrenberg, Sonia Dsoke
Summary: In this study, the electrochemical properties and reaction mechanism of Li3-2xCaxV2(PO4)(3)/C as negative electrode materials for sodium-ion/potassium-ion batteries were investigated. It was found that the Ca content influenced the diffusion-controlled and pseudocapacitive-type processes in the batteries. Li3V2(PO4)(3)/C showed the highest reversible capacity, while Ca1.5V2(PO4)(3)/C exhibited the best rate performance. It was also discovered that the specific capacity of the material did not increase with Ca-content, but the stability and performance at high C-rate improved by replacing Li+ with Ca2+.
Article
Chemistry, Multidisciplinary
Maxim Yu. Arsentev, Evgeny I. Sysoev, Alexey I. Makogon, Sergey V. Balabanov, Maxim M. Sychev, Mahmoud H. Hammouri, Vyacheslav A. Moshnikov
Summary: This paper proposes a new approach for the development of advanced cellular materials based on crystallomorphic design. It utilizes selected crystal structures and models their electron density distribution, using isoelectronic surfaces as a generatrix for 3D-printed cellular materials. Through high-throughput screening of a data array of crystalline compounds, several perspective designs were identified and successfully implemented and showed high characteristics. A linear correlation was found between the strength of the samples and the minimum angle and minimum bond length in the simplified crystal structures. A new cellular geometry with reinforcement struts and increased strength was discovered.
Article
Nanoscience & Nanotechnology
Suning Wang, Tian Zhao, Jinniu Chen, Alexander Missyul, Laura Simonelli, Laijun Liu, Fujun Li, Xiangyang Kong, Weibo Hua
Summary: Li-and Mn-rich layered oxides (LMLOs) are promising cathode materials for Li-ion batteries (LIBs) due to their high discharge capacity. The voltage decay during cycling in LMLOs is attributed to the continuous increase of lattice strain in the bulk material, while some other LMLOs can release the accumulated strain on discharge. These findings contribute to a better understanding of the voltage decay in LMLOs.
ACS APPLIED MATERIALS & INTERFACES
(2023)
