材料科学
镍
锂(药物)
氧化镍
离子
涂层
阴极
非阻塞I/O
化学工程
相(物质)
钴
盐(化学)
吸附
氧化物
无机化学
纳米技术
冶金
物理化学
催化作用
有机化学
化学
内分泌学
工程类
医学
生物化学
作者
Youngjin Kim,Hyoju Park,Kihyun Shin,Graeme Henkelman,Jamie H. Warner,Arumugam Manthiram
标识
DOI:10.1002/aenm.202101112
摘要
Abstract The implementation of high‐nickel layered oxide cathodes in lithium‐ion batteries is hampered by the inherent issues of formation of NiO‐like rock‐salt phase as well as residual lithium (e.g., LiOH, LiHCO 3 , and Li 2 CO 3 ) on the surface. To overcome the challenges, here a rational strategy is presented of interdiffusion‐based surface reconstruction via dry coating and the design principles for identifying the optimum coating ions on a LiNi 0.91 Mn 0.03 Co 0.06 O 2 (NMC91) cathode. Notably, the combined approach of theoretical screening, which involves the consideration of superexchange interactions among different oxidation states and density functional theory calculations, along with experimental analyses, which involve the characterization of the decrease in Ni content and residual lithium on the surface of NMC91, demonstrate the effective reduction in rock‐salt phase and residual lithium. Among the four ions investigated (Al, Co, Fe, and Ti), cobalt‐coated NMC91 is the most effective at reducing the rock‐salt phase and residual lithium by successfully reconstructing the surface of NMC91 and exhibits an excellent capacity retention of 85% in a full cell after 300 cycles at 30 °C.
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