Fluorinated Rocksalt‐Polyanion Cathode for Lithium‐Ion Batteries

Huang, Yimeng; Niu, Yaoshen; Zhang, Zhen; Lin, Zihan; Chen, Weiyin; Liu, Vivienne Yiwei; Waluyo, Iradwikanari; Hunt, Adrian; Xiao, Xianghui; Dong, Yanhao; Li, Ju

doi:10.1002/idm2.70015

Fluorinated Rocksalt‐Polyanion Cathode for Lithium‐Ion Batteries

Journal Article · Wed Oct 08 00:00:00 EDT 2025 · Interdisciplinary Materials

DOI:https://doi.org/10.1002/idm2.70015· OSTI ID:2998869

Huang, Yimeng ^[1]; Niu, Yaoshen ^[1]; Zhang, Zhen ^[1]; Lin, Zihan ^[1]; Chen, Weiyin ^[1]; Liu, Vivienne Yiwei ^[1]; Waluyo, Iradwikanari ^[2]; Hunt, Adrian ^[2]; Xiao, Xianghui ^[2]; ^[3]; Li, Ju ^[1]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Tsinghua Univ., Beijing (China)

Integrated rocksalt‐polyanion cathodes (DRXPS) are promising candidates for next‐generation lithium‐ion battery cathode materials that combine high energy density, stable cycling performance, and reduced reliance on Co and Ni. In this work, we investigated Li₃Mn_1.6P_0.4O_5.4F_0.6, a new DRXPS cathode with fluoride incorporation. A pure spinel phase was formed and a discharge capacity retention of 84% was achieved after 200 cycles between 1.5 and 4.8 V versus Li/Li⁺. In comparison, the similarly synthesized Li₃Mn_1.6Nb_0.4O_5.4F_0.6, in which all P⁵⁺ was substituted by Nb⁵⁺ while maintaining the same stoichiometry for all other elements, crystallized in a disordered rocksalt structure, and exhibited inferior capacity retention and rate capability than the P⁵⁺ counterpart. Our findings expand the compositional space of DRXPS to include F⁻, justify the viability of integrating polyanion groups in rocksalt‐type cathodes, and highlight the superiority of P⁵⁺ as a cation charge compensator compared to the commonly used Nb⁵⁺. This work thereby advances the design of robust, high‐performance cathode materials for sustainable batteries.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0012704

OSTI ID:: 2998869

Report Number(s):: BNL--229058-2025-JAAM

Journal Information:: Interdisciplinary Materials, Journal Name: Interdisciplinary Materials Journal Issue: 6 Vol. 4; ISSN 2767-441X; ISSN 2767-4401

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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