International Journal of Molecular Sciences

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Special Issue Editor

Dr. Evgeniay A. Il’ina

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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

Open AccessArticle

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 1330

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 NaCl molten salt provides numerous anchor points for Li, Co, and Ni ions to directly prepare Li_1.2Ni_0.13Co_0.13Mn_0.54O₂ 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 Li_1.2Ni_0.13Co_0.13Mn_0.54O₂, 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

Open AccessReview

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 1232

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 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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