The effect of oxygen vacancy and spinel phase integration on both anionic and cationic redox in Li-rich cathode materials

doi:10.1039/d0ta02517h

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	The effect of oxygen vacancy and spinel phase integration on both anionic and cationic redox in Li-rich cathode materials
	Li, QY ; Ning, D ; Zhou, D ; An, K ; Wong, D ; Zhang, LJ ; Chen, ZH ; Schuck, G ; Schulz, C ; Xu, ZJ
刊名	JOURNAL OF MATERIALS CHEMISTRY A
	2020
卷号	8 期号:16 页码:7733-7745
关键词	X-RAY-ABSORPTION ION BATTERIES HIGH-CAPACITY CHARGE-COMPENSATION ELECTROCHEMICAL PROPERTIES ELECTRONIC-STRUCTURE SINGLE-CRYSTAL OXIDE CATHODE SUBSTITUTION SOFT
ISSN号	2050-7488
DOI	10.1039/d0ta02517h
文献子类	期刊论文
英文摘要	Tuning the anionic redox chemistry (O2- -> O-2(n-)) activity and reversibility by crystal and/or electronic modulation is essential for Li-rich oxide cathode materials. Herein, we report a facile strategy to improve the activity and reversibility of both anionic and cationic redox by integrating oxygen vacancies and the spinel phase. The initial specific capacity (216.1 mA h g(-1)vs. 316.3 mA h g(-1)), coulombic efficiency (80% vs. 94.8%), long-term cycling stability (1000 cycles at 5C) and voltage decay have all been greatly improved due to the largely suppressed irreversible oxygen release. The underlying modulation mechanism has been unraveled. Firstly, the introduction of oxygen vacancies decreases the covalency of TM-O and the density of states of the O 2p band, which mitigates the irreversible oxygen release during oxygen redox. Secondly, the spinel phase integration induced by oxygen vacancies not only improves the Li-ion conductivity and the rate capability due to its 3D Li+ channel and the expanded Li layer but also enhances the structural stability. Thirdly, the first-principles calculations indicate that the increase of delocalized electrons around the transition metal also intensifies the MnO6 octahedral distortion and the inactive Mn-ions are partially activated during the first cycle and participate in the charge compensation. This study sheds some new light on designing high-performance Li-rich layered oxide cathode materials by regulating the anionic and cationic redox with the incorporation of oxygen vacancies and the spinel phase.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/33191]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Univ Chinese Acad Sci, CAS Ctr Excellence Topol Quantum Computat, Beijing 100190, Peoples R China 2.Helmholtz Ctr Berlin Mat & Energy, Hahn Meitner Pl 1, D-14109 Berlin, Germany 3.Oak Ridge Natl Lab, Neutron Scattering Div, Oak Ridge, TN 37830 USA 4.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China 5.Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Li, QY,Ning, D,Zhou, D,et al. The effect of oxygen vacancy and spinel phase integration on both anionic and cationic redox in Li-rich cathode materials[J]. JOURNAL OF MATERIALS CHEMISTRY A,2020,8(16):7733-7745.
APA	Li, QY.,Ning, D.,Zhou, D.,An, K.,Wong, D.,...&Liu, XF.(2020).The effect of oxygen vacancy and spinel phase integration on both anionic and cationic redox in Li-rich cathode materials.JOURNAL OF MATERIALS CHEMISTRY A,8(16),7733-7745.
MLA	Li, QY,et al."The effect of oxygen vacancy and spinel phase integration on both anionic and cationic redox in Li-rich cathode materials".JOURNAL OF MATERIALS CHEMISTRY A 8.16(2020):7733-7745.