High pressure driven structural and electrochemical modifications in layered lithium transition metal intercalation oxides

被引:33
作者
Fell, C. R. [1 ]
Lee, D. H. [3 ]
Meng, Y. S. [1 ,3 ]
Gallardo-Amores, J. M. [2 ]
Moran, E. [2 ]
Arroyo-de Dompablo, M. E. [4 ]
机构
[1] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA
[2] Univ Complutense Madrid, Fac Ciencias Quim, Lab Altas Pres, E-28040 Madrid, Spain
[3] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92037 USA
[4] Univ Complutense Madrid, Fac Ciencias Quim, Malta Consolioder Team, E-28040 Madrid, Spain
关键词
TOTAL-ENERGY CALCULATIONS; NICKEL MANGANESE OXIDES; CAPACITY; MN; CO; TRANSFORMATION; DIFFRACTION; ELECTRODES; BATTERIES; CHARGE;
D O I
10.1039/c2ee02818b
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
High pressure-high temperature (HP/HT) methods are utilized to introduce structural modifications in the layered lithium transition metal oxides LiCoO2 and Li[NixLi1/3-2x/3Mn2/3-x/3]O-2 where x = 0.25 and 0.5. The electrochemical property to structure relationship is investigated combining computational and experimental methods. Both methods agree that the substitution of transition metal ions with Li ions in the layered structure affects the compressibility of the materials. We have identified that following high pressure and high temperature treatment up to 8.0 GPa, LiCoO2 did not show drastic structural changes, and accordingly the electrochemical properties of the high pressure treated LiCoO2 remain almost identical to the pristine sample. The high pressure treatment of LiNi0.5Mn0.5O2 (x = 0.5) caused structural modifications that decreased the layered characteristics of the material inhibiting its electrochemical lithium intercalation. For Li[Li1/6Ni1/4Mn7/12]O-2 more drastic structural modifications are observed following high pressure treatment, including the formation of a second layered phase with increased Li/Ni mixing and a contracted c/a lattice parameter ratio. The post-treated Li[Li1/6Ni1/4Mn7/12]O-2 samples display a good electrochemical response, with clear differences compared to the pristine material in the 4.5 voltage region. Pristine and post-treated Li[Li1/6Ni1/4Mn7/12]O-2 deliver capacities upon cycling near 200 mA h g(-1), even though additional structural modifications are observed in the post-treated material following electrochemical cycling. The results presented underline the flexibility of the structure of Li[Li1/6Ni1/4Mn7/12]O-2; a material able to undergo large structural variations without significant negative impacts on the electrochemical performance as seen in LiNi0.5Mn0.5O2. In that sense, the Li excess materials are superior to LiNi0.5Mn0.5O2, whose electrochemical characteristics are very sensitive to structural modifications.
引用
收藏
页码:6214 / 6224
页数:11
相关论文
共 50 条
  • [41] Structural aspects of lithium insertion in transition metal oxide electrodes
    Berg, H
    Bergstrom, O
    Gustafsson, T
    Kelder, EM
    Thomas, JO
    JOURNAL OF POWER SOURCES, 1997, 68 (01) : 24 - 29
  • [42] Promoting reversible reaction of oxygen anions in cobalt-free lithium-rich layered oxides to improve their electrochemical performance
    Zhu, Chengxian
    Hu, Yanjie
    Jiang, Nan
    Pan, Dehao
    Li, Chunzhong
    APPLIED SURFACE SCIENCE, 2021, 566
  • [43] Enabling Sodium Batteries Using Lithium-Substituted Sodium Layered Transition Metal Oxide Cathodes
    Kim, Donghan
    Kang, Sun-Ho
    Slater, Michael
    Rood, Shawn
    Vaughey, John T.
    Karan, Naba
    Balasubramanian, Mahalingam
    Johnson, Christopher S.
    ADVANCED ENERGY MATERIALS, 2011, 1 (03) : 333 - 336
  • [44] Understanding Activity Trends in Electrochemical Dinitrogen Oxidation over Transition Metal Oxides
    Olusegun, Samuel A.
    Qi, Yancun
    Kani, Nishithan C.
    Singh, Meenesh R.
    Gauthier, Joseph A.
    ACS CATALYSIS, 2024, 14 (22): : 16885 - 16896
  • [45] Origins and Importance of Intragranular Cracking in Layered Lithium Transition Metal Oxide Cathodes
    Morzy, Jedrzej K.
    Dose, Wesley M.
    Vullum, Per Erik
    Lai, May Ching
    Mahadevegowda, Amoghavarsha
    De Volder, Michael F. L.
    Ducati, Caterina
    ACS APPLIED ENERGY MATERIALS, 2024, 7 (09): : 3945 - 3956
  • [46] Application of Gibbs energy model to equilibrium potential for structural phase transition in lithium intercalation process
    Tatsukawa, Eiji
    Ikeda, Tomohide
    Tamura, Kazuhiro
    FLUID PHASE EQUILIBRIA, 2013, 357 : 19 - 23
  • [47] Identifying surface structural changes in layered Li-excess nickel manganese oxides in high voltage lithium ion batteries: A joint experimental and theoretical study
    Xu, Bo
    Fell, Christopher R.
    Chi, Miaofang
    Meng, Ying Shirley
    ENERGY & ENVIRONMENTAL SCIENCE, 2011, 4 (06) : 2223 - 2233
  • [48] Layered Transition Metal Dichalcogenide-Based Nanomaterials for Electrochemical Energy Storage
    Yun, Qinbai
    Li, Liuxiao
    Hu, Zhaoning
    Lu, Qipeng
    Chen, Bo
    Zhang, Hua
    ADVANCED MATERIALS, 2020, 32 (01)
  • [49] Synthesis, characterization and electrochemical properties of the layered high capacity sodium ion intercalation cathode material
    Wang, Yu
    Wang, Xianyou
    Yu, Ruizhi
    Zhang, Xiaohui
    Chen, Manfang
    Tang, Ke
    Huang, Yan
    JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 780 : 170 - 176
  • [50] Structural insights into the formation and voltage degradation of lithium- and manganese-rich layered oxides
    Hua, Weibo
    Wang, Suning
    Knapp, Michael
    Leake, Steven J.
    Senyshyn, Anatoliy
    Richter, Carsten
    Yavuz, Murat
    Binder, Joachim R.
    Grey, Clare P.
    Ehrenberg, Helmut
    Indris, Sylvio
    Schwarz, Bjoern
    NATURE COMMUNICATIONS, 2019, 10 (1)