Lithium-ion batteries;
High nickel layered oxide;
Cathode materials;
Doping;
Density functional theory calculations;
TOTAL-ENERGY CALCULATIONS;
TRANSITION;
SURFACE;
D O I:
10.1016/j.ceramint.2024.08.336
中图分类号:
TQ174 [陶瓷工业];
TB3 [工程材料学];
学科分类号:
0805 ;
080502 ;
摘要:
High-nickel layered cathode materials for lithium-ion batteries have received widespread attention in new energy vehicles for their excellent specific energy and cost advantages, and are considered to be the most promising cathode materials for high-energy density lithium-ion batteries. Despite its many advantages, poor thermal stability and rapid capacity degradation have greatly limited its large-scale application. Ion doping is considered to be an effective way to improve its drawbacks, and in this paper, a series of W-doped LiNi0.9Co0.1O2 cathode materials were prepared using WO3 as a tungsten source. Among them, 1 mol% W doping was the most effective, and its reversible capacity of 204.44 mA g -1 still had 93.25 % capacity retention after 100 this cycles at 1C. Combined with DFT calculations, it is found that the introduction of W does not change the original layered structure and the material transitions from semi-metallic to metallic at lower doping concentrations, resulting in more electrons occupying the Fermi energy levels to enhance its electrical conductivity and leading to an elevated spin state and a lower oxidation state of Ni.
机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Zhongliang Xiao
Chaoming Hu
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Chaoming Hu
Liubin Song
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Liubin Song
Lingjun Li
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Lingjun Li
Zhong Cao
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Zhong Cao
Huali Zhu
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Huali Zhu
Jiao Liu
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Jiao Liu
Xinyu Li
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
Xinyu Li
Fuli Tang
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机构:Changsha University of Science and Technology,Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, School of Chemistry and Biological Engineering
机构:
Yancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R ChinaYancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R China
Huang, Bing
Zhao, Zhiyuan
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机构:
Yancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R ChinaYancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R China
Zhao, Zhiyuan
Sun, Yuzhen
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Yancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R ChinaYancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R China
Sun, Yuzhen
Wang, Meng
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机构:
Beijing Natl Innovat Inst Lightweight Ltd, Beijing 100083, Peoples R ChinaYancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R China
Wang, Meng
Chen, Lin
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机构:
Beijing Natl Innovat Inst Lightweight Ltd, Beijing 100083, Peoples R ChinaYancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R China
Chen, Lin
Gu, Yijie
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机构:
Shandong Univ Sci & Technol, Coll Mat Sci & Engn, Qingdao 266510, Shandong, Peoples R ChinaYancheng Teachers Univ, Inst New Energy Chem Storage & Power Sources, Yancheng 224000, Peoples R China
机构:
Air Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, JapanAir Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, Japan
Kim, Sanghoon
Wang, Ronghui
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机构:
Air Liquide Shanghai, Innovat Campus Shanghai,1820 Guanghua Rd,Xinzhuang, Shanghai, Peoples R ChinaAir Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, Japan
Wang, Ronghui
Wiff, Paulo
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机构:
Air Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, JapanAir Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, Japan
Wiff, Paulo
de Verthamon, Guillaume
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机构:
Air Liquide SA, 75 Quai Dorsay, Paris, FranceAir Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, Japan
de Verthamon, Guillaume
Briand, Francis
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机构:
Air Liquide R&D, Innovat Campus Paris,1 Chem Porte Des Loges, Les Loges En Josas, FranceAir Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, Japan
Briand, Francis
Prost, Laurent
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机构:
Air Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, JapanAir Liquide Labs, Innovat Campus Tokyo,Hikarino Oka 2-2, Yokosuka, Japan
机构:
Univ Teknol MARA, Inst Sci, Ctr Funct Mat & Nanotechnol, Shah Alam, Malaysia
Univ Teknol MARA, Fac Sci Appl, Sch Chem & Environm, Shah Alam, MalaysiaUniv Teknol MARA, Inst Sci, Ctr Funct Mat & Nanotechnol, Shah Alam, Malaysia
Azizan, Wan Aida Hazwani Wan
Elong, Kelimah
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机构:
Univ Teknol MARA, Inst Sci, Ctr Funct Mat & Nanotechnol, Shah Alam, Malaysia
Univ Teknol MARA, Fac Sci Appl, Sch Chem & Environm, Shah Alam, MalaysiaUniv Teknol MARA, Inst Sci, Ctr Funct Mat & Nanotechnol, Shah Alam, Malaysia
Elong, Kelimah
Kasim, Muhd Firdaus
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h-index: 0
机构:
Univ Teknol MARA, Inst Sci, Ctr Funct Mat & Nanotechnol, Shah Alam, Malaysia
Univ Teknol MARA, Fac Sci Appl, Sch Chem & Environm, Shah Alam, MalaysiaUniv Teknol MARA, Inst Sci, Ctr Funct Mat & Nanotechnol, Shah Alam, Malaysia