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Lithium-Ion Battery: Material Design and Mechanism Research

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".

Deadline for manuscript submissions: closed (30 April 2024) | Viewed by 3201

Special Issue Editor


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Guest Editor
Institute of High Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, 620990 Ekaterinburg, Russia
Interests: lithium-ion solid electrolytes; garnet structure; Li7La3Zr2O12; electrode materials; interfaces; all-solid-state battery

Special Issue Information

Dear Colleagues,

Lithium-ion batteries have a wide range of applications due to their high specific energy density and power density. They are used in laptops, mobile phones, electro tools, and other compact devices. However, for electric vehicles, military, and space technology, traditional lithium-ion batteries require higher energy density, enhanced environmental performance, and lower costs. Moreover, a deeper understanding of the processes in lithium-ion batteries and ways for their improvement is required. Currently, a conception of all-solid-state battery has been proposed because such power sources have a number of advantages: a wider operating temperature range; performance in extreme conditions; increased inertness to aggressive media and high pressures; and greater stability during depressurization. However, a resistance at the solid–solid interface, as a rule, is higher than at the solid–liquid interface due to a point contact. Derivation of the composition–property–structure dependence for the optimization of transport properties of solid electrolytes and electrodes is also a topical research task. Solving these problems is an important scientific task that allows expanding the range of the lithium, lithium–sulfur, and lithium-ion batteries.

The present Special Issue aims to provide an overview of the current research on promising electrolytes and electrode materials, their crystal design, charge transfer features, and interface problems for the creation of high-energy power sources with the required characteristics.

This Special Issue is supervised by Dr. Evgeniay A. Il’ina and assisted by our Topical Advisory Panel Member Dr. Svetlana Pershina (Institute of High Temperature Electrochemistry of the Ural Branch of the RAS). For this Special Issue on “Lithium-Ion Battery: Material Design and Mechanism Research”, we welcome your contributions in the form of original research and review articles on all aspects of materials and processes in lithium-ion batteries.

Dr. Evgeniay A. Il’ina
Guest Editor

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Keywords

  • solid electrolytes
  • electrode materials
  • interface
  • materials engineering
  • computer modeling and simulation
  • lithium-ion battery
  • lithium–sulfur battery
  • all-solid-state battery

Published Papers (2 papers)

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Research

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14 pages, 5359 KiB  
Article
Na+ Lattice Doping Induces Oxygen Vacancies to Achieve High Capacity and Mitigate Voltage Decay of Li-Rich Cathodes
by Hengrui Qiu, Rui Zhang and Youxiang Zhang
Int. J. Mol. Sci. 2023, 24(9), 8035; https://doi.org/10.3390/ijms24098035 - 28 Apr 2023
Cited by 3 | Viewed by 1379
Abstract
In this work, we synthesized 1D hollow square rod-shaped MnO2, and then obtained Na+ lattice doped-oxygen vacancy lithium-rich layered oxide by a simple molten salt template strategy. Different from the traditional synthesis method, the hollow square rod-shaped MnO2 in [...] Read more.
In this work, we synthesized 1D hollow square rod-shaped MnO2, and then obtained Na+ lattice doped-oxygen vacancy lithium-rich layered oxide by a simple molten salt template strategy. Different from the traditional synthesis method, the hollow square rod-shaped MnO2 in NaCl molten salt provides numerous anchor points for Li, Co, and Ni ions to directly prepare Li1.2Ni0.13Co0.13Mn0.54O2 on the original morphology. Meanwhile, Na+ is also introduced for lattice doping and induces the formation of oxygen vacancy. Therefrom, the modulated sample not only inherits the 1D rod-like morphology but also achieves Na+ lattice doping and oxygen vacancy endowment, which facilitates Li+ diffusion and improves the structural stability of the material. To this end, transmission electron microscopy, high-angle annular dark-field scanning transmission electron microscopy, X-ray photoelectron spectroscopy, and other characterization are used for analysis. In addition, density functional theory is used to further analyze the influence of oxygen vacancy generation on local transition metal ions, and theoretically explain the mechanism of the electrochemical performance of the samples. Therefore, the modulated sample has a high discharge capacity of 282 mAh g−1 and a high capacity retention of 90.02% after 150 cycles. At the same time, the voltage decay per cycle is only 0.0028 V, which is much lower than that of the material (0.0038 V per cycle) prepared without this strategy. In summary, a simple synthesis strategy is proposed, which can realize the morphology control of Li1.2Ni0.13Co0.13Mn0.54O2, doping of Na+ lattice, and inducing the formation of oxygen vacancy, providing a feasible idea for related exploration. Full article
(This article belongs to the Special Issue Lithium-Ion Battery: Material Design and Mechanism Research)
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Review

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22 pages, 4236 KiB  
Review
Recent Strategies for Lithium-Ion Conductivity Improvement in Li7La3Zr2O12 Solid Electrolytes
by Evgeniya Il’ina
Int. J. Mol. Sci. 2023, 24(16), 12905; https://doi.org/10.3390/ijms241612905 - 17 Aug 2023
Cited by 3 | Viewed by 1321
Abstract
The development of solid electrolytes with high conductivity is one of the key factors in the creation of new power-generation sources. Lithium-ion solid electrolytes based on Li7La3Zr2O12 (LLZ) with a garnet structure are in great demand [...] Read more.
The development of solid electrolytes with high conductivity is one of the key factors in the creation of new power-generation sources. Lithium-ion solid electrolytes based on Li7La3Zr2O12 (LLZ) with a garnet structure are in great demand for all-solid-state battery production. Li7La3Zr2O12 has two structural modifications: tetragonal (I41/acd) and cubic (Ia3d). A doping strategy is proposed for the stabilization of highly conductive cubic Li7La3Zr2O12. The structure features, density, and microstructure of the ceramic membrane are caused by the doping strategy and synthesis method of the solid electrolyte. The influence of different dopants on the stabilization of the cubic phase and conductivity improvement of solid electrolytes based on Li7La3Zr2O12 is discussed in the presented review. For mono-doping, the highest values of lithium-ion conductivity (~10−3 S/cm at room temperature) are achieved for solid electrolytes with the partial substitution of Li+ by Ga3+, and Zr4+ by Te6+. Moreover, the positive effect of double elements doping on the Zr site in Li7La3Zr2O12 is established. There is an increase in the popularity of dual- and multi-doping on several Li7La3Zr2O12 sublattices. Such a strategy leads not only to lithium-ion conductivity improvement but also to the reduction of annealing temperature and the amount of some high-cost dopant. Al and Ga proved to be effective co-doping elements for the simultaneous substitution in Li/Zr and Li/La sublattices of Li7La3Zr2O12 for improving the lithium-ion conductivity of solid electrolytes. Full article
(This article belongs to the Special Issue Lithium-Ion Battery: Material Design and Mechanism Research)
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