In Situ Surface Protection for Enhancing Stability and Performance of LiNi0.5Mn0.3Co0.2O2 at 4.8 V: The Working Mechanisms

Wang, Renheng; Dai, Xiangyu; Qian, Zhengfang; Sun, Yanan; Fan, Shuting; Xiong, Keyu; Zhang, Han; Wu, Feixiang

doi:10.1021/acsmaterialslett.9b00476

Cited by 50 publications

(32 citation statements)

References 60 publications

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“…Employing p‐toluenesulfonyl isocyanate (PTSI) as an electrolyte additive to protect LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) cathode at 3.0—4.8 V had been investigated. [ 181 ] Compared with the electrolyte without additive, the introduction of PTSI additive could drive the electrolyte more stable by increasing the electrolyte decomposition voltage, which would significantly inhibit the oxidation of the electrolyte and form thinner SEI film. The thinner layer is beneficial to the Li + migration and can decrease the interfacial layer resistance of NCM523/electrolyte.…”

Section: Modification Methodsmentioning

confidence: 99%

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods^†

et al. 2020

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Due to the large reversible capacity, high operating voltage and low cost, layered ternary oxide cathode materials LiNixCoyAl1−x−yO2 (NCA) and LiNixCoyMn1−x−yO2 (NCM) are considered as the most potential candidate materials for lithium-ion batteries (LIBs) used in (hybrid) electric vehicles (EVs). However, next-generation long-range EVs require a high specific capacity (around 203 mAh•g-1 at 3.7V) at the cathode active material level, which is not provided with current commercially layered ternary oxide cathodes. Increasing the operating voltage is an effective method to improve the specific capacity of the cathode and the energy density of the battery, but the high operating voltage also causes a lot of problems, such as cation mixing and phase transformation, electrolyte decomposition, transition metal dissolution and microcracks. So far, researchers have carried out a lot of works to solve these issues. Surface coating, element doping and the design of electrolytes have been proved to be effective solutions. In this review, the failure mechanisms and modification methods of high-voltage layered ternary oxide cathode materials are summarized, which could provide valuable information to the research of high-voltage layered ternary oxide cathode materials in basic science and industrial production. Xiaodan Wang (top left) was born in Hebei province, China in 1996. She received her bachelor degree from Hebei University of Technology in 2018. She is currently studying for her master's degree under the guidance of Professor Bai in School of Materials Science at Beijing Institute of Technology. Ying Bai (top right) is currently a professor at Beijing Institute of Technology (BIT). Her research interests focus on electrochemical energy storage and conversion technology. Dr. Bai earned her bachelor degree from Applied Chemistry Division at Harbin Institute of Technology, China (HIT) in 1997. She completed her Ph.D. from School of Chemical Engineering & Materials Science at BIT in 2003. In 2013, she was awarded New Century Excellent Talents in University from the Chinese Ministry of Education. She hosted and is hosting the projects of the National Natural Science Foundation of China as a principal investigator. Dr. Bai has authored/co-authored more than 120 peer-reviewed articles and filed more than 40 Chinese patents. Xinran Wang (bottom left) is an associate researcher at Beijing Institute of Technology (BIT). His research interests focus on new system for high energy density secondary batteries. In 2016, he received his Ph.D. degree in University of Chinese Academy of Sciences. From 2013 to 2015, he was jointly trained by Georgia Institute of Technology in the United States. From 2016 to 2018, he worked as an assistant researcher at the Institute of Process Engineering, Chinese Academy of Sciences. He has won the Baosteel Award, the President's Award of the Chinese Academy of Sciences, the Chinese Academy of Sciences Outstanding pacesetter and so on. Chuan Wu (bottom right) is a professor at Beijing Institute of Tech...

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Section: Modification Methodsmentioning

confidence: 99%

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods^†

et al. 2020

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“…Electrolytes, as a carrier for lithium ion transport, need to be of high ionic conductivity, thermal stability, and non-reaction with electrodes (Wang et al, 2020a ). The most used electrolyte for lithium batteries is high dielectric constant ethylene carbonate (EC) mixed with low viscosity chain carbonate, e.g., dimethyl carbonate (DMC), ethyl methyl carbonate (EMC), and diethyl carbonate (DEC), or carboxylate acid ester, e.g., methyl acetate (MA) (Xu, 2004 ).…”

Section: Electrolytesmentioning

confidence: 99%

Application of Reaction Force Field Molecular Dynamics in Lithium Batteries

Shi

Zhou

2021

Front. Chem.

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Lithium batteries are widely used in portable electronic products. Although the performance of the batteries has been greatly improved in the past few decades, limited understanding of the working mechanisms at an atomic scale has become a major factor for further improvement. In the past 10 years, a reaction force field (ReaxFF) has been developed within the molecular dynamics framework. The ReaxFF has been demonstrated to correctly describe both physical processes and chemical reactions for a system significantly larger than the one simulated by quantum chemistry, and therefore in turn has been broadly applied in lithium batteries. In this article, we review the ReaxFF studies on the sulfur cathode, various anodes, and electrolytes of lithium batteries and put particular focus on the ability of the ReaxFF to reveal atomic-scale working mechanisms. A brief prospect is also given.

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“…The stable electrode surface and interface structure are the key factors that determine the quality of the battery. Structural defects and side reactions on the surface of the high-nickel NCM ternary positive material affect the transfer of electrons and the deintercalation of lithium ions, thereby affecting the performance of the battery (Wang et al, 2020c). The changes in the chemical properties of lithium-ion batteries in terms of surface and structure need to be elucidated.…”

Section: Study On the Surface And Interface Structure Of High-nickel mentioning

confidence: 99%

Research Progress on the Surface of High-Nickel Nickel–Cobalt–Manganese Ternary Cathode Materials: A Mini Review

Song

Xiao

et al. 2020

Front. Chem.

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To address increasingly prominent energy problems, lithium-ion batteries have been widely developed. The high-nickel type nickel-cobalt-manganese (NCM) ternary cathode material has attracted attention because of its high energy density, but it has problems such as cation mixing. To address these issues, it is necessary to start from the surface and interface of the cathode material, explore the mechanism underlying the material's structural change and the occurrence of side reactions, and propose corresponding optimization schemes. This article reviews the defects caused by cation mixing and energy bands in high-nickel NCM ternary cathode materials. This review discusses the reasons why the core-shell structure has become an optimized high-nickel ternary cathode material in recent years and the research progress of core-shell materials. The synthesis method of high-nickel NCM ternary cathode material is summarized. A good theoretical basis for future experimental exploration is provided.

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In Situ Surface Protection for Enhancing Stability and Performance of LiNi_0.5Mn_0.3Co_0.2O₂ at 4.8 V: The Working Mechanisms

Cited by 50 publications

References 60 publications

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods^†

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods^†

Application of Reaction Force Field Molecular Dynamics in Lithium Batteries

Research Progress on the Surface of High-Nickel Nickel–Cobalt–Manganese Ternary Cathode Materials: A Mini Review

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In Situ Surface Protection for Enhancing Stability and Performance of LiNi0.5Mn0.3Co0.2O2 at 4.8 V: The Working Mechanisms

Cited by 50 publications

References 60 publications

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods†

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods†

Application of Reaction Force Field Molecular Dynamics in Lithium Batteries

Research Progress on the Surface of High-Nickel Nickel–Cobalt–Manganese Ternary Cathode Materials: A Mini Review

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Product

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In Situ Surface Protection for Enhancing Stability and Performance of LiNi_0.5Mn_0.3Co_0.2O₂ at 4.8 V: The Working Mechanisms

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods^†

High‐Voltage Layered Ternary Oxide Cathode Materials: Failure Mechanisms and Modification Methods^†