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Title: Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode

Anionic redox reaction (ARR) in lithium- and sodium-ion batteries is under hot discussion, mainly regarding how oxygen anion participates and to what extent oxygen can be reversibly oxidized and reduced. In this paper, a P3-type Na 0.6[Li 0.2Mn 0.8]O 2 with reversible capacity from pure ARR was studied. The interlayer O-O distance (peroxo-like O-O dimer, 2.506(3) Å), associated with oxidization of oxygen anions, was directly detected by using a neutron total scattering technique. Finally, different from Li 2RuO 3 or Li 2IrO 3 with strong metal-oxygen (M-O) bonding, for P3-type Na 0.6[Li 0.2Mn 0.8]O 2 with relatively weak Mn-O covalent bonding, crystal structure factors might play an even more important role in stabilizing the oxidized species, as both Li and Mn ions are immobile in the structure and thus may inhibit the irreversible transformation of the oxidized species to O 2 gas.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [1] ;  [5] ;  [1] ;  [2] ;  [1] ;  [5] ;  [1] ;  [3] ;  [1] ;  [1]
  1. Univ. of Chinese Academy of Sciences, Beijing (China)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Report Number(s):
BNL-114495-2017-JA
Journal ID: ISSN 2542-4351; R&D Project: MA453MAEA; VT1201000; TRN: US1703049
Grant/Contract Number:
SC0012704; AC05-00OR22725; AC02-76SF00515; AC02-05CH11231; AC02-06CH11357; 2014CB932300; 51725206; 11234013; 51421002
Type:
Accepted Manuscript
Journal Name:
Joule
Additional Journal Information:
Journal Volume: 2; Journal Issue: 1; Journal ID: ISSN 2542-4351
Publisher:
Elsevier
Research Org:
Univ. of Chinese Academy of Sciences, Beijing (China); Brookhaven National Lab. (BNL), Upton, NY (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); National Natural Science Foundation of China (NNSFC); Chinese Academy of Sciences (CAS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; anionic redox; peroxo-like O-O dimer; layered oxide cathode; sodium-ion batteries
OSTI Identifier:
1407472

Rong, Xiaohui, Liu, Jue, Hu, Enyuan, Liu, Yijin, Wang, Yi, Wu, Jinpeng, Yu, Xiqian, Page, Katharine, Hu, Yong-Sheng, Yang, Wanli, Li, Hong, Yang, Xiao-Qing, Chen, Liquan, and Huang, Xuejie. Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode. United States: N. p., Web. doi:10.1016/j.joule.2017.10.008.
Rong, Xiaohui, Liu, Jue, Hu, Enyuan, Liu, Yijin, Wang, Yi, Wu, Jinpeng, Yu, Xiqian, Page, Katharine, Hu, Yong-Sheng, Yang, Wanli, Li, Hong, Yang, Xiao-Qing, Chen, Liquan, & Huang, Xuejie. Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode. United States. doi:10.1016/j.joule.2017.10.008.
Rong, Xiaohui, Liu, Jue, Hu, Enyuan, Liu, Yijin, Wang, Yi, Wu, Jinpeng, Yu, Xiqian, Page, Katharine, Hu, Yong-Sheng, Yang, Wanli, Li, Hong, Yang, Xiao-Qing, Chen, Liquan, and Huang, Xuejie. 2017. "Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode". United States. doi:10.1016/j.joule.2017.10.008. https://www.osti.gov/servlets/purl/1407472.
@article{osti_1407472,
title = {Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode},
author = {Rong, Xiaohui and Liu, Jue and Hu, Enyuan and Liu, Yijin and Wang, Yi and Wu, Jinpeng and Yu, Xiqian and Page, Katharine and Hu, Yong-Sheng and Yang, Wanli and Li, Hong and Yang, Xiao-Qing and Chen, Liquan and Huang, Xuejie},
abstractNote = {Anionic redox reaction (ARR) in lithium- and sodium-ion batteries is under hot discussion, mainly regarding how oxygen anion participates and to what extent oxygen can be reversibly oxidized and reduced. In this paper, a P3-type Na0.6[Li0.2Mn0.8]O2 with reversible capacity from pure ARR was studied. The interlayer O-O distance (peroxo-like O-O dimer, 2.506(3) Å), associated with oxidization of oxygen anions, was directly detected by using a neutron total scattering technique. Finally, different from Li2RuO3 or Li2IrO3 with strong metal-oxygen (M-O) bonding, for P3-type Na0.6[Li0.2Mn0.8]O2 with relatively weak Mn-O covalent bonding, crystal structure factors might play an even more important role in stabilizing the oxidized species, as both Li and Mn ions are immobile in the structure and thus may inhibit the irreversible transformation of the oxidized species to O2 gas.},
doi = {10.1016/j.joule.2017.10.008},
journal = {Joule},
number = 1,
volume = 2,
place = {United States},
year = {2017},
month = {11}
}