中國有色金屬學(xué)報(bào)(英文版)
Transactions of Nonferrous Metals Society of China
| Vol. 35 No. 6 June 2025 |
（1. School of Physics and Technology, University of Jinan, Jinan 250022, China;
2. Research Institute of Smart Energy, Department of Applied Physics, The Hong Kong Polytechnic University, Hong Kong 999077, China）
Abstract:The effects of synthesis conditions, especially the heating rate, on the reaction kinetics of Ni-rich cathodes were systematically studied. The growth rate of Ni-rich oxide increases continuously as the heating rate increases. Ab initio molecular dynamics simulations demonstrate that a high heating rate induces anabatic oscillations, indicating a decrease in thermodynamic stability and a tendency for the crystal surface to undergo reconstruction. The presence of an intermediate phase at the grain boundary amplifies atomic migration-induced interface fusion and consequently augments crystal growth kinetics. However, the excessively high heating rate aggravates the Li+/Ni2+ mixing in the Ni-rich cathode. The single-crystal Ni-rich cathode exhibits enhanced structural/thermal stability but a decreased specific capacity and rate performance compared with its polycrystalline counterpart.
Key words: lithium-ion battery; Ni-rich cathode; single crystal; growth kinetics; heating rate
