Oxygen Deficiency and Defect Chemistry in Delithiated Spinel LiNi0.5Mn1.5O4 Cathodes for Li-Ion Batteries

被引：21
|
作者：
Wang, Zhiguo [1 ]
Su, Qiulei [2 ]
Deng, Huiqiu [2 ]
Fu, Yongqing [3 ]
机构：
[1] Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China
[2] Hunan Univ, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China
[3] Northumbria Univ, Fac Engn & Environm, Dept Phys & Elect Engn, Newcastle Upon Tyne NE1 8ST, Tyne & Wear, England
来源：
CHEMELECTROCHEM | 2015年 / 2卷 / 08期
基金：
中国国家自然科学基金;
关键词：
defects; density functional calculations; lithium-ion batteries; oxygen deficiency; spinel phases; THERMAL-STABILITY; REDOX POTENTIALS; RATE CAPABILITY; LIMN2O4; TEMPERATURE; PERFORMANCE; PROGRESS; P4(3)32; METAL; OXIDE;
D O I：
10.1002/celc.201500059
中图分类号：
O646 [电化学、电解、磁化学];
学科分类号：
081704 ;
摘要：
In this work, we investigated the effect of oxygen deficiency on defect chemistry in delithiated spinel LiNi0.5Mn1.5O4 cathodes by using first principles density functional calculations. Results show that the oxygen deficiency assists the migration of Ni and Mn ions from octahedral sites to tetrahedral ones, and the migration assists the formation of oxygen vacancies. These results shed light on the atomic-level structural changes of the delithiated spinel LiNi0.5Mn1.5O4, in which transition-metal ions migrate from octahedral sites to tetrahedral ones, accompanied by oxygen release upon heating. Oxygen deficiency plays key roles in oxygen release in the LiNi0.5Mn1.5O4 cathodes.
引用
收藏
页码：1182 / 1186
页数：5
相关论文
共 50 条
  • [41] Li-vacant topotactic subsurface Pathways: A Key to stable Li-ion storage and migration in LiNi0.5Mn1.5O4 Cathodes
    Jeong, Taekyun
    Kang, Sungkyoung
    Lim, Seonguk
    An, Sieun
    Oh, Chungsun
    Park, Jun-Ho
    Han, Dongwook
    CHEMICAL ENGINEERING JOURNAL, 2024, 499
  • [42] Exploring high-voltage fluorinated carbonate electrolytes for LiNi0.5Mn1.5O4 cathode in Li-ion batteries
    Zheng, Xi
    Liao, Ying
    Zhang, Zhongru
    Zhu, Jianping
    Ren, Fucheng
    He, Huajin
    Xiang, Yuxuan
    Zheng, Yezhen
    Yang, Y.
    JOURNAL OF ENERGY CHEMISTRY, 2020, 42 : 62 - 70
  • [43] Synthesis and Electrochemical Properties of LiNi0.5Mn1.5O4 for Li-Ion Batteries by the Metal-Organic Framework Method
    Yin, Chengjie
    Zhou, Hongming
    Yang, Zhaohui
    Li, Jian
    ACS APPLIED MATERIALS & INTERFACES, 2018, 10 (16) : 13625 - 13634
  • [44] Rapid and Low-Carbon Emission Synthesis of Stable LiNi0.5Mn1.5O4 Cathode for Li-Ion Batteries
    Wang, Xijue
    Pham, Hong Duc
    Padwal, Chinmayee
    Wang, Tony
    Fernando, Joseph F. S.
    Ostrikov, Kostya
    Golberg, Dmitri
    Dubal, Deepak
    ADVANCED ENERGY AND SUSTAINABILITY RESEARCH, 2024, 5 (02):
  • [45] Exploring high-voltage fluorinated carbonate electrolytes for LiNi0.5Mn1.5O4 cathode in Li-ion batteries
    Xi Zheng
    Ying Liao
    Zhongru Zhang
    Jianping Zhu
    Fucheng Ren
    Huajin He
    Yuxuan Xiang
    Yezhen Zheng
    Y.Yang
    Journal of Energy Chemistry, 2020, 42 (03) : 62 - 70
  • [46] Facile synthesis of spinel LiNi0.5Mn1.5O4 as 5.0 V-class high-voltage cathode materials for Li-ion batteries
    Guo, Xueyi
    Yang, Chenlin
    Chen, Jinxiu
    Tian, Qinghua
    Zhang, Hongmei
    Huang, Guoyong
    Chinese Journal of Chemical Engineering, 2021, 39 : 247 - 254
  • [47] Facile synthesis of spinel LiNi0.5Mn1.5O4 as 5.0 V-class high-voltage cathode materials for Li-ion batteries
    Guo, Xueyi
    Yang, Chenlin
    Chen, Jinxiu
    Tian, Qinghua
    Zhang, Hongmei
    Huang, Guoyong
    CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2021, 39 : 247 - 254
  • [48] Nanostructured spinel LiNi0.5Mn1.5O4 as new insertion anode for advanced Li-ion capacitors with high power capability
    Arun, Nagasubramanian
    Jain, Akshay
    Aravindan, Vanchiappan
    Jayaraman, Sundaramurthy
    Ling, Wong Chui
    Srinivasan, Madapusi P.
    Madhavi, Srinivasan
    NANO ENERGY, 2015, 12 : 69 - 75
  • [49] Variation of Li Diffusion Coefficient during Delithiation of Spinel LiNi0.5Mn1.5O4
    Rahim, Ahmad Syahmi Abdul
    Kufian, Mohd Zieauddin
    Arof, Abdul Kariem Mohd
    Osman, Zurina
    JOURNAL OF ELECTROCHEMICAL SCIENCE AND TECHNOLOGY, 2022, 13 (01) : 128 - 137
  • [50] Improvement of electrochemical properties of LiNi0.5Mn1.5O4 spinel
    Wu, XL
    Kim, SB
    JOURNAL OF POWER SOURCES, 2002, 109 (01) : 53 - 57
12345