New insights into the modification mechanism of Li-rich Li1.2Mn0.6Ni0.2O2 coated by Li2ZrO3
文献情報
Jicheng Zhang, Heng Zhang, Rui Gao, Zhengyao Li, Zhongbo Hu, Xiangfeng Liu
Lithium-rich Mn-based layered cathode materials have attracted wide attention due to their high specific capacity for lithium-ion batteries. However, some critical issues i.e. poor rate capability and voltage fade have limited their practical applications. Herein, we propose a synchronous lithiation strategy to coat Li-rich Li1.2Mn0.6Ni0.2O2 (LMNO) with a thin layer of Li+-conductive Li2ZrO3. The obtained syn-Li2ZrO3@LMNO integrates the advantages of the Li2ZrO3 coating and Zr4+ doping, and shows a much higher rate capability and cycling stability than those of the counterpart post-Li2ZrO3@LMNO fabricated by a post-coating method. More importantly, the average voltage of syn-Li2ZrO3@LMNO has been enhanced by 0.15 V and the voltage decay has also been mitigated. New insights into the synergetic modification mechanism of the Li2ZrO3 coating and Zr4+ doping have been proposed. The coating layer of Li+-conductive Li2ZrO3 alleviates the surface side reactions, suppresses the transition metal dissolution and enhances the Li-ion conductivity. Meanwhile, the doping and incorporation of Zr4+ into the host structure accompanied by the Li2ZrO3 coating expands the interplanar spacing and decreases Li/Ni mixing which facilitates Li+ diffusion. In addition, the integration of the Li2ZrO3 coating and Zr4+ doping also further enhances the layered structure stability and mitigates the voltage fade during lithiation/delithiation cycles. Moreover, the proposed synchronous lithiation coating route avoids the duplicated high-temperature calcinations and can also be widely used to modify some other cathode materials.
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掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














