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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; Schumacher, G; Liu, XF
2020
Source PublicationJOURNAL OF MATERIALS CHEMISTRY A
ISSN2050-7488
Volume8Issue:16Pages:7733-7745
Subtype期刊论文
AbstractTuning 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.
KeywordX-RAY-ABSORPTION ION BATTERIES HIGH-CAPACITY CHARGE-COMPENSATION ELECTROCHEMICAL PROPERTIES ELECTRONIC-STRUCTURE SINGLE-CRYSTAL OXIDE CATHODE SUBSTITUTION SOFT
DOI10.1039/d0ta02517h
Indexed BySCI ; EI
Language英语
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/33191
Collection中科院上海应用物理研究所2011-2020年
Affiliation1.Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Ctr Mat Sci & Optoelect Engn, Beijing 100049, 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, CAS Ctr Excellence Topol Quantum Computat, Beijing 100190, Peoples R China
Recommended Citation
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.
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