Cation-doped LiNi0.8Co0.1Mn0.1O2 cathode with high rate performance

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外文摘要：The nickel-rich layered cathode material LiNi0.8Co0.1Mn0.1O2 (NCM811) has high energy density, lower cost and is a promising cathode material currently under development. However, its electrochemical and structural stability is poor during cycling. Among the many modification methods, cation doping has been consistently proven to be an effective strategy for enhancing electrochemical performance. Herein, the NCM811 cathode material was modified by solid-phase reactions with Mg and Al doped. In 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 laws. Combined with DFT calculations, the results show that Mg2+occupies the Li+site and reduces the degree of Li+/Ni2+mixture;Al3+acts as a structural support during charging and discharging to prevent structural collapse. The 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, respectively. This study provides a theoretical basis and design strategy for commercializing cationic-doped modification of nickel-rich cathode materials.

外文关键词：

Li-ion batteriesCathode materialsDopedElectrochemical propertiesDFT calculation

作者：

Long Zhang、Shengming Xu、Dongsheng Yang、Lilei Miao、Chunmeng Zhang、Jiexiang Li、Jiawei Wen、Chunxia Wang、Tiantian Cao、Guoyong Huang

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作者单位：

College of New Energy and Materials, China University of Petroleum, Beijing 102249, China

State Key Laboratory of Heavy Oil Processing, College of Chemical Engineering, China University of Petroleum, Beijing 102249, China

Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China

Beijing Key Laboratary of Fine Ceramics, Tsinghua University, Beijing 100084, China

Beijing Spacecrafts, Beijing 100094, China

SINOPEC Sales Co., Ltd., Beijing 100728, China

SINOPEC Research Institute of Petroleum Processing Co., Ltd, Beijing 100083, China

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基金：

National Natural Science Foundation of ChinaNational Key Research and Development Program of ChinaScience Foundation of China University of Petroleum,BeijingScience Foundation of China University of Petroleum,BeijingState Key Laboratory of Heavy Oil Processing

项目编号：

522743072021YFC29011002462022QZDX0082462021QNX2010HON-KFKT2022-10

出版年：

2024

DOI：

10.1016/j.cjche.2024.02.009

中国化学工程学报(英文版)

中国化工学会

中国化学工程学报(英文版)

CSTPCDEI

影响因子：0.818

ISSN：1004-9541

年,卷(期)：2024.70(6)