Cation-doped LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2) cathode with high rate performance

作     者：Long Zhang Dongsheng Yang Lilei Miao Chunmeng Zhang Jiexiang Li Jiawei Wen Chunxia Wang Tiantian Cao Guoyong Huang Shengming Xu Long Zhang;Shengming Xu;Dongsheng Yang;Lilei Miao;Chunmeng Zhang;Jiexiang Li;Jiawei Wen;Chunxia Wang;Tiantian Cao;Guoyong Huang

作者机构：College of New Energy and MaterialsChina University of PetroleumBeijing 102249China State Key Laboratory of Heavy Oil ProcessingCollege of Chemical EngineeringChina University of PetroleumBeijing 102249China Beijing SpacecraftsBeijing 100094China SINOPEC Sales Co.Ltd.Beijing 100728China SINOPEC Research Institute of Petroleum Processing Co.LtdBeijing 100083China Institute of Nuclear and New Energy TechnologyTsinghua UniversityBeijing 100084China Beijing Key Laboratary of Fine CeramicsTsinghua UniversityBeijing 100084China 

出 版 物：《Chinese Journal of Chemical Engineering》 (中国化学工程学报（英文版）)

年 卷 期：2024年第70卷第6期

页      面：139-148页

核心收录：

学科分类：081704[工学-应用化学] 0808[工学-电气工程] 08[工学] 0817[工学-化学工程与技术] 070203[理学-原子与分子物理] 0703[理学-化学] 0714[理学-统计学（可授理学、经济学学位）] 0701[理学-数学] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China(52274307) National Key Research and Development Program of China(2021YFC2901100) Science Foundation of China University of Petroleum,Beijing(2462022QZDX008,2462021QNX2010) State Key Laboratory of Heavy Oil Processing(HON-KFKT2022-10) 

主　　题：Li-ion batteries Cathode materials Doped Electrochemical properties DFT calculation 

摘      要：The nickel-rich layered cathode material LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)has high energy density,lower cost and is a promising cathode material currently under ***,its electrochemical and structural stability is poor during *** the many modification methods,cation doping has been consistently proven to be an effective strategy for enhancing electrochemical ***,the NCM811 cathode material was modified by solid-phase reactions with Mg and Al *** addition,the corresponding mechanism of NCM811 cathode material-doped modification is explored by density functional theory(DFT)calculations,and we have extended this approach to other ternary cathode materials with different ratios and obtained universal *** with DFT calculations,the results show that Mg2+occupies the Li+site and reduces the degree of Li^(+)/Ni^(2+) mixture;Al^(3+) acts as a structural support during charging and discharging to prevent structural *** electrochemical properties were tested by an electrochemical workstation and the LAND system,and the results showed that the capacity retention rate increased to varying degrees from 63.66%to 69.87%and 89.05%for NCM811-Mg and NCM811-Al at room temperature after 300 cycles,*** study provides a theoretical basis and design strategy for commercializing cationic-doped modification of nickel-rich cathode materials.