Local structure adaptability through multi cations for oxygen redox accommodation in Li-Rich layered oxides

Zhao, Enyue; Zhang, Minghao; Wang, Xuelong; Hu, Enyuan; Liu, Jue; Yu, Xiqian; Olguin, Marco; Wynn, Thomas A.; Meng, Ying Shirley; Page, Katharine; Wang, Fangwei; Li, Hong; Yang, Xiao-Qing; Huang, Xuejie; Chen, Liquan

doi:10.1016/j.ensm.2019.07.032

Title: Local structure adaptability through multi cations for oxygen redox accommodation in Li-Rich layered oxides

Journal Article · 25 July 2019 · Energy Storage Materials

DOI: https://doi.org/10.1016/j.ensm.2019.07.032 · OSTI ID:1770706

Zhao, Enyue ^[1]; Zhang, Minghao ^[2]; Wang, Xuelong ^[1]; Hu, Enyuan ^[3]; Liu, Jue ^[4]; Yu, Xiqian ^[1]; Olguin, Marco ^[2]; Wynn, Thomas A. ^[2]; Meng, Ying Shirley ^[2]; Page, Katharine ^[4]; Wang, Fangwei ^[5]; Li, Hong ^[1];

^[3]; Huang, Xuejie ^[1]; Chen, Liquan ^[1]

Chinese Academy of Sciences (CAS), Beijing (China)
Univ. of California, San Diego, CA (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Chinese Academy of Sciences (CAS), Beijing (China); Songshan Lake Materials Lab., Guangdong (China)

Stable lattice oxygen redox (l-OR) is the key enabler for achieving attainable high energy density in Li-rich layered oxide cathode materials for Li-ion batteries. However, the unique local structure response to oxygen redox in these materials, resulting in energy inefficiency and hysteresis, still remains elusive, preventing their potential applications. By combining the state-of-the-art neutron pair distribution function with crystal orbital overlap analysis, we directly observe the distinct local structure adaption originated from the potential O–O chemical bonds. The structure adaptability is optimized based on the nature of multi transition metals in our model compound Li_1.2Ni_0.13Mn_0.54Co_0.13O₂, which accommodates the oxygen redox and at the same time preserves the global layered structure. Furthermore, these findings not only advance the understanding of l-OR, but also provide new perspectives in the rational design of high-energy-density cathode materials with reversible and stable l-OR.

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Research Organization:: Univ. of California, San Diego, CA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; National Key Research and Development Program of China; National Natural Science Foundation of China (NSFC); National Materials Genome Project

Grant/Contract Number:: EE0007744; AC02-05CH11231; AC05-00OR22725; KC040602; 2016YFB0100100; 2016YFB0100106; 11675255; 51502334; 51822211; SC0012704

OSTI ID:: 1770706

Alternate ID(s):: OSTI ID: 1557714; OSTI ID: 1704018

Report Number(s):: BNL-211950-2019-JAAM

Journal Information:: Energy Storage Materials, Vol. 24; ISSN 2405-8297

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 92 works

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