An orbital-coupling-driven bifunctional prelithiation additive for enhanced practical Li-ion full cells
- 1College of Chemistry and Environmental Engineering, Shenzhen University Shenzhen 518060 P. R. China
- 2School of Materials and New Energy, South China Normal University Shanwei 516600 P. R. China
- 3Advanced Institute for Soft Matter Science and Technology (AISMST), School of Emergent Soft Matter, South China University of Technology Guangzhou China
Abstract
Prelithiation has been widely recognized as an effective strategy to compensate for active lithium loss and enhance the energy density of lithium-ion batteries. This work develops a highly efficient Ti-doped cathode prelithiation additive, 2% Ti-doped Li2NiO2 (Ti 2-LNO). As demonstrated, such a prelithiation material delivers a lasting ion–electron bifunctional bridge: it efficiently replenishes the irreversible lithium loss of LiFePO4 during the initial cycle and transforms into Ti 2-LiNiO2 thereafter. Notably, the orbital coupling at the interface between Ti 2-LiNiO2 and LFP forms an efficient electron transport channel; meanwhile, the incorporation of Ti 2-LiNiO2 contributes to the formation of a stable, LiF-rich and low-impedance cathode/electrolyte interphase (CEI), thereby optimizing ion–electron synergistic transport, accelerating interfacial charge transfer, and alleviating both electrochemical and concentration polarization at high rates. Compared with the conventional Li‖LiFePO4 half-cell, enabled by the synergistic effect of efficient lithium compensation and capturing the sluggish electrons in LFP to achieve rapid electron transfer, the cell with a 10 wt% Ti 2-LNO additive exhibits significantly improved rate capability, delivering a high reversible capacity of 87.2 mA h g−1 at 5C after 1000 cycles. Furthermore, a practical graphite‖LiFePO4 with 10 wt% Ti 2-LNO full cell (N/P = 1.2) exhibits enhanced cycle stability, retaining 98.60% of its initial capacity after 200 cycles at 0.5C. This work presents a design concept for high-performance cathode prelithiation additives that synergistically couples efficient Li+ compensation with accelerated ion–electron transport kinetics, enabling high-power and long-life Li-ion full cells.
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BibTeX
@article{tian2026orbitalcouplingdriven,
title = {{An orbital-coupling-driven bifunctional prelithiation additive for enhanced practical Li-ion full cells}},
author = {Na Tian and Xing Liu and Kangyu Zhou and Xiaolin Deng and Shuting Kong and Xiuli Jia and Peixin Zhang and Lipeng Zhang and Yanyi Wang and Dingtao Ma},
journal = {Chemical Science},
year = {2026},
month = sep,
doi = {10.1039/d6sc06091a},
url = {https://doi.org/10.1039/d6sc06091a},
note = {CC BY-NC 3.0},
}
RIS
TY - JOUR
TI - An orbital-coupling-driven bifunctional prelithiation additive for enhanced practical Li-ion full cells
AU - Na Tian
AU - Xing Liu
AU - Kangyu Zhou
AU - Xiaolin Deng
AU - Shuting Kong
AU - Xiuli Jia
AU - Peixin Zhang
AU - Lipeng Zhang
AU - Yanyi Wang
AU - Dingtao Ma
PY - 2026
DA - 2026/09/16
JO - Chemical Science
DO - 10.1039/d6sc06091a
UR - https://doi.org/10.1039/d6sc06091a
AB - Prelithiation has been widely recognized as an effective strategy to compensate for active lithium loss and enhance the energy density of lithium-ion batteries. This work develops a highly efficient Ti-doped cathode prelithiation additive, 2% Ti-doped Li2NiO2 (Ti 2-LNO). As demonstrated, such a prelithiation material delivers a lasting ion–electron bifunctional bridge: it efficiently replenishes the irreversible lithium loss of LiFePO4 during the initial cycle and transforms into Ti 2-LiNiO2 thereafter. Notably, the orbital coupling at the interface between Ti 2-LiNiO2 and LFP forms an efficient electron transport channel; meanwhile, the incorporation of Ti 2-LiNiO2 contributes to the formation of a stable, LiF-rich and low-impedance cathode/electrolyte interphase (CEI), thereby optimizing ion–electron synergistic transport, accelerating interfacial charge transfer, and alleviating both electrochemical and concentration polarization at high rates. Compared with the conventional Li‖LiFePO4 half-cell, enabled by the synergistic effect of efficient lithium compensation and capturing the sluggish electrons in LFP to achieve rapid electron transfer, the cell with a 10 wt% Ti 2-LNO additive exhibits significantly improved rate capability, delivering a high reversible capacity of 87.2 mA h g−1 at 5C after 1000 cycles. Furthermore, a practical graphite‖LiFePO4 with 10 wt% Ti 2-LNO full cell (N/P = 1.2) exhibits enhanced cycle stability, retaining 98.60% of its initial capacity after 200 cycles at 0.5C. This work presents a design concept for high-performance cathode prelithiation additives that synergistically couples efficient Li+ compensation with accelerated ion–electron transport kinetics, enabling high-power and long-life Li-ion full cells.
SN - 2041-6520
SN - 2041-6539
ER -