Interfacial Catalytic Activation of Li₂C₂O₄ for Efficient Cathode Prelithiation in Lithium-Ion Batteries.

Authors

Xinyu Lu, Jiaying He, Xiaofei Deng, Yaqiong Su, Hao Bin Wu

Published in

Small (Weinheim an der Bergstrasse, Germany). Pages e75836. Sep 22, 2026. Epub Sep 22, 2026.

Abstract

Lithium oxalate (Li₂C₂O₄) attracts increasing attention as a cathode sacrificial prelithiation agent due to its high theoretical capacity, excellent air stability, residue-free decomposition, and good compatibility with present battery chemistry. However, the sluggish decomposition kinetics of crystalline Li₂C₂O₄ results in a high decomposition potential. Herein, the interfacial decomposition behavior of crystalline Li₂C₂O₄ is systematically investigated. Theoretical calculations reveal that the NiCo₂O₄Li₂C₂O₄ interface substantially lowers the relative energies of key defect-containing intermediates and reduces the energetic penalty for the rate-determining Li⁺ extraction step. Guided by this mechanism, a composite NiCo₂O₄@Li₂C₂O₄ prelithiation agent (NCO@LCO) is prepared by a facile freeze-drying strategy. Benefiting from abundant catalytic interfaces, NCO@LCO exhibits accelerated decomposition kinetics, with the decomposition potential reduced from 4.45 to 4.24 V. When applied to a LiFePO₄ cathode through a secondary coating process and paired with a Si/C-Gr anode, NCO@LCO provides additional active lithium during the first charge, increases the first-cycle reversible capacity, and markedly improves long-term cycling stability. This work provides a crystal-interface perspective for Li₂C₂O₄ decomposition and demonstrates an efficient cathode-side prelithiation strategy for improving the lithium inventory and cycling durability of silicon-based lithium-ion batteries.

PMID:
42770882
Bibliographic data and abstract were imported from PubMed on 22 Sep 2026.

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