Elucidation of the Jahn-Teller effect in a pair of sodium isomer
Abstract
Jahn-Teller distorted Mn(III) (t2g3eg1) ions play a key role in the performance of manganese-based layered oxides. Here we show that there is an obvious relationship between the Jahn-Teller distortion of a trivalent manganese and the electrochemistry in a pair of Na isomer, namely orthorhombic and hexagonal P2-type Na2/3Mn0.9Ti0.1O2 having the same composition. It is found that more reversible phase transformations, higher working voltage and faster Na diffusion correlated with Jahn-Teller effect are found for distorted P02-Na2/3Mn0.9Ti0.1O2 upon Naþions extraction/insertion. Such Jahn-Teller distorted Mn assisted Na migration enables that the orthorhombic Na2/ 3Mn0.9Ti0.1O2 delivers a high specific capacity of 204.0 mA h g–1 with a 2.7 V average working voltage, reaching 550 Wh Kg–1–1 cycled at 10C) in Na cell in contrast with undistorted Na2/3Mn0.9Ti0.1O2. This strategy for understanding the Jahn-Teller effect of P2-type compounds at orbital energy level grasps new insight into designing high energy density positive electrode materials for Na-ion batteries.
- Authors:
-
[1];
[1];
[2];
- Univ. of Maryland, College Park, MD (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE
- OSTI Identifier:
- 1646592
- Alternate Identifier(s):
- OSTI ID: 1644330
- Report Number(s):
- BNL-216229-2020-JAAM
Journal ID: ISSN 2211-2855
- Grant/Contract Number:
- SC0012704; EE0008202
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nano Energy
- Additional Journal Information:
- Journal Volume: 77; Journal ID: ISSN 2211-2855
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 25 ENERGY STORAGE; sodium-ion batteries; cathode; Jahn-Teller effect; sodium isomer; electrochemistry
Citation Formats
Wang, Peng-Fei, Jin, Ting, Zhang, Jiaxun, Wang, Qin-Chao, Ji, Xiao, Cui, Chunyu, Piao, Nan, Liu, Sufu, Xu, Jijian, Yang, Xiao-Qing, and Wang, Chunsheng. Elucidation of the Jahn-Teller effect in a pair of sodium isomer. United States: N. p., 2020.
Web. doi:10.1016/j.nanoen.2020.105167.
Wang, Peng-Fei, Jin, Ting, Zhang, Jiaxun, Wang, Qin-Chao, Ji, Xiao, Cui, Chunyu, Piao, Nan, Liu, Sufu, Xu, Jijian, Yang, Xiao-Qing, & Wang, Chunsheng. Elucidation of the Jahn-Teller effect in a pair of sodium isomer. United States. https://doi.org/10.1016/j.nanoen.2020.105167
Wang, Peng-Fei, Jin, Ting, Zhang, Jiaxun, Wang, Qin-Chao, Ji, Xiao, Cui, Chunyu, Piao, Nan, Liu, Sufu, Xu, Jijian, Yang, Xiao-Qing, and Wang, Chunsheng. Tue .
"Elucidation of the Jahn-Teller effect in a pair of sodium isomer". United States. https://doi.org/10.1016/j.nanoen.2020.105167. https://www.osti.gov/servlets/purl/1646592.
@article{osti_1646592,
title = {Elucidation of the Jahn-Teller effect in a pair of sodium isomer},
author = {Wang, Peng-Fei and Jin, Ting and Zhang, Jiaxun and Wang, Qin-Chao and Ji, Xiao and Cui, Chunyu and Piao, Nan and Liu, Sufu and Xu, Jijian and Yang, Xiao-Qing and Wang, Chunsheng},
abstractNote = {Jahn-Teller distorted Mn(III) (t2g3eg1) ions play a key role in the performance of manganese-based layered oxides. Here we show that there is an obvious relationship between the Jahn-Teller distortion of a trivalent manganese and the electrochemistry in a pair of Na isomer, namely orthorhombic and hexagonal P2-type Na2/3Mn0.9Ti0.1O2 having the same composition. It is found that more reversible phase transformations, higher working voltage and faster Na diffusion correlated with Jahn-Teller effect are found for distorted P02-Na2/3Mn0.9Ti0.1O2 upon Naþions extraction/insertion. Such Jahn-Teller distorted Mn assisted Na migration enables that the orthorhombic Na2/ 3Mn0.9Ti0.1O2 delivers a high specific capacity of 204.0 mA h g–1 with a 2.7 V average working voltage, reaching 550 Wh Kg–1–1 cycled at 10C) in Na cell in contrast with undistorted Na2/3Mn0.9Ti0.1O2. This strategy for understanding the Jahn-Teller effect of P2-type compounds at orbital energy level grasps new insight into designing high energy density positive electrode materials for Na-ion batteries.},
doi = {10.1016/j.nanoen.2020.105167},
journal = {Nano Energy},
number = ,
volume = 77,
place = {United States},
year = {Tue Jul 28 00:00:00 EDT 2020},
month = {Tue Jul 28 00:00:00 EDT 2020}
}
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