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Electrodes, Electrolytes and Interfaces for High-Performance Rechargeable Batteries

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Energy Materials".

Deadline for manuscript submissions: 20 July 2024 | Viewed by 3483

Special Issue Editors


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Guest Editor
School of Energy and Power Engineering, North China Electric Power University, Beijing, China
Interests: energy storage secondary battery materials and devices; electrochemical energy storage materials
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
School of Energy and Power Engineering, North China Electric Power University, Beijing, China
Interests: energy storage secondary battery materials and devices; electrochemical energy storage materials

Special Issue Information

Dear Colleagues,

With increasing energy demand, the efficient utilization of renewable energy has become the primary issue in the energy field. Secondary batteries can accomplish efficient energy storage, providing an effective solution for the utilization of renewable energy. Lithium-ion batteries have been the most widely used secondary battery system owing to their high energy density and long lifespan and will still be the dominating power source and research hotspot in the next decade for a wide range of products, especially in vehicles and consumable electronics. However, lithium-ion batteries have encountered problems such as increasing manufacturing costs, lithium supply chain constraints, and safety issues. Therefore, researchers are also developing various types of next-generation lithium-ion batteries and post-lithium-ion batteries with the advantages of low-cost, abundant resources; high safety; and high electrochemical stability, which include sodium-ion batteries; Zn-, Mg- and Al-based multivalent metal-ion batteries; etc. The suitable design of electrode materials, electrolytes, and the interface structure have a strong impact on the  structural stability, reversible capacity, long cycling capability, and rate performance of energy storage devices.

This Special Issue mainly focuses on electrode material design, electrolyte optimization, interface engineering, and electrochemical devices configuration for all kinds of post-lithium-ion batteries. Original research contributions and comprehensive, in-depth review articles highlighting recent progress are all welcome. The areas of interest include, but are not limited to:

  • Cathode or anode materials for lithium-/sodium-ion batteries and Zn-, Mg-, or Al-based multivalent metal-ion batteries;
  • Electrolytes optimization for lithium-/sodium-ion batteries and Zn-, Mg-, or Al-based multivalent metal-ion batteries;
  • Optimization design and simulation of electrode surfaces and electrolyte interfaces;
  • Machine-learning-assisted modeling and simulation for electrode materials and electrolytes;
  • Electrochemical devices configuration for all kinds of post-lithium-ion batteries.

Prof. Dr. Huajun Tian
Dr. Yan Xin
Guest Editors

Manuscript Submission Information

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Keywords

  • cathode
  • anode
  • electrolytes
  • lithium-ion batteries
  • sodium-ion batteries
  • all-solid-state batteries
  • lithium–sulfur batteries
  • multivalent metal-ion batteries
  • aqueous batteries

Published Papers (3 papers)

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Research

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14 pages, 2616 KiB  
Article
Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte
by Changlin Qi, Yuwei Zhou, Xiaoze Yuan, Qing Peng, Yong Yang, Yongwang Li and Xiaodong Wen
Materials 2024, 17(8), 1810; https://doi.org/10.3390/ma17081810 - 15 Apr 2024
Viewed by 572
Abstract
The solid electrolyte Li10GeP2S12 (LGPS) plays a crucial role in the development of all-solid-state batteries and has been widely studied both experimentally and theoretically. The properties of solid electrolytes, such as thermodynamic stability, conductivity, band gap, and more, [...] Read more.
The solid electrolyte Li10GeP2S12 (LGPS) plays a crucial role in the development of all-solid-state batteries and has been widely studied both experimentally and theoretically. The properties of solid electrolytes, such as thermodynamic stability, conductivity, band gap, and more, are closely related to their ground-state structures. However, the presence of site-disordered co-occupancy of Ge/P and defective fractional occupancy of lithium ions results in an exceptionally large number of possible atomic configurations (structures). Currently, the electrostatic energy criterion is widely used to screen favorable candidates and reduce computational costs in first-principles calculations. In this study, we employ the machine learning- and active-learning-based LAsou method, in combination with first-principles calculations, to efficiently predict the most stable configuration of LGPS as reported in the literature. Then, we investigate the diffusion properties of Li ions within the temperature range of 500–900 K using ab initio molecular dynamics. The results demonstrate that the atomic configurations with different skeletons and Li ion distributions significantly affect the Li ions’ diffusion. Moreover, the results also suggest that the LAsou method is valuable for refining experimental crystal structures, accelerating theoretical calculations, and facilitating the design of new solid electrolyte materials in the future. Full article
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16 pages, 11780 KiB  
Article
Effect of Heteroatom Doping on Electrochemical Properties of Olivine LiFePO4 Cathodes for High-Performance Lithium-Ion Batteries
by Xiukun Jiang, Yan Xin, Bijiao He, Fang Zhang and Huajun Tian
Materials 2024, 17(6), 1299; https://doi.org/10.3390/ma17061299 - 11 Mar 2024
Viewed by 902
Abstract
Lithium iron phosphate (LiFePO4, LFP), an olivine–type cathode material, represents a highly suitable cathode option for lithium–ion batteries that is widely applied in electric vehicles and renewable energy storage systems. This work employed the ball milling technique to synthesize LiFePO4 [...] Read more.
Lithium iron phosphate (LiFePO4, LFP), an olivine–type cathode material, represents a highly suitable cathode option for lithium–ion batteries that is widely applied in electric vehicles and renewable energy storage systems. This work employed the ball milling technique to synthesize LiFePO4/carbon (LFP/C) composites and investigated the effects of various doping elements, including F, Mn, Nb, and Mg, on the electrochemical behavior of LFP/C composite cathodes. Our comprehensive work indicates that optimized F doping could improve the discharge capacity of the LFP/C composites at high rates, achieving 113.7 mAh g−1 at 10 C. Rational Nb doping boosted the cycling stability and improved the capacity retention rate (above 96.1% after 100 cycles at 0.2 C). The designed Mn doping escalated the discharge capacity of the LFP/C composite under a low temperature of −15 °C (101.2 mAh g−1 at 0.2 C). By optimizing the doping elements and levels, the role of doping as a modification method on the diverse properties of LFP/C cathode materials was effectively explored. Full article
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Review

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35 pages, 10062 KiB  
Review
Advancements and Challenges in High-Capacity Ni-Rich Cathode Materials for Lithium-Ion Batteries
by Mehdi Ahangari, Benedek Szalai, Josue Lujan, Meng Zhou and Hongmei Luo
Materials 2024, 17(4), 801; https://doi.org/10.3390/ma17040801 - 7 Feb 2024
Viewed by 1615
Abstract
Nowadays, lithium-ion batteries are undoubtedly known as the most promising rechargeable batteries. However, these batteries face some big challenges, like not having enough energy and not lasting long enough, that should be addressed. Ternary Ni-rich Li[NixCoyMnz]O2 [...] Read more.
Nowadays, lithium-ion batteries are undoubtedly known as the most promising rechargeable batteries. However, these batteries face some big challenges, like not having enough energy and not lasting long enough, that should be addressed. Ternary Ni-rich Li[NixCoyMnz]O2 and Li[NixCoyAlz]O2 cathode materials stand as the ideal candidate for a cathode active material to achieve high capacity and energy density, low manufacturing cost, and high operating voltage. However, capacity gain from Ni enrichment is nullified by the concurrent fast capacity fading because of issues such as gas evolution, microcracks propagation and pulverization, phase transition, electrolyte decomposition, cation mixing, and dissolution of transition metals at high operating voltage, which hinders their commercialization. In order to tackle these problems, researchers conducted many strategies, including elemental doping, surface coating, and particle engineering. This review paper mainly talks about origins of problems and their mechanisms leading to electrochemical performance deterioration for Ni-rich cathode materials and modification approaches to address the problems. Full article
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