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Interfacial pre-activation of lithium oxalate via d-p hybridization in intermetallic NiBi3 for cathode prelithiation

delete2026-08-04
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PRE
AI
B
Boheng Chen
H
Hongpo Liu
H
Huiyin Zheng
C
Che Liu
Z
Zhuosen Wang
Y
Yapeng Tian *
X
Xinwei Cui *
DOI:10.1016/j.jcis.2026.141302delete
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Abstract

Abstract

En 中文
Lithium oxalate (Li2C2O4) is regarded as a promising prelithiation agent due to its high specific capacity and cost-effectiveness. However, its intrinsically poor electronic conductivity and sluggish reaction kinetics result in a high lithium liberation potential (typically above 4.5 V), which challenges the stability of electrolytes and electrode materials, and deteriorates overall battery performance. In this work, the intermetallic NiBi3 catalyst with metallic conductivity and strong interfacial interaction is introduced to promote the low-potential decomposition of Li2C2O4. Benefiting from the synergistic electronic effect between Ni and Bi, the incorporation of Bi effectively modulates the electronic structure of Ni sites via d–p orbital hybridization, thereby enhancing the adsorption and activation of Li2C2O4, weakening the Li2C2O4 framework and facilitating its decomposition. When coupled with ultrahigh-Ni NCM96 cathodes, the NiBi3-Li2C2O4 prelithiation system provides higher charge capacity (273.3 mAh g−1) and improved reaction kinetics compared to the pristine counterpart. Furthermore, full-cell configurations based on SiOx anodes exhibit enhanced lithium compensation capability, maintaining a capacity retention of 52.9% after 150 cycles at 0.5C. These results demonstrate that intermetallic NiBi3 is an efficient catalyst for activating Li2C2O4 and provides a viable strategy for developing high-performance cathode prelithiation systems.
Keywords:
Prelithiation
Interfacial pre-activation
d-p orbital hybridization
Lithium oxalate
Intermetallic NiBi3

Journal

Journal of Colloid and Interface Science cover
Journal of Colloid and Interface Science
IF:
9.7
Papers:
3.7W
Citations:
14.7W

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