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Title: Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃

Abstract

The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe₂(MoO₄)₃ electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na⁺ and Li⁺, respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe₂(MoO₄)₃ and the one by one Na occupation (pseudo-continuous occupation) at 8d sites in partially sodiated Fe₂(MoO₄)₃ are obtained during the discharge processes of Li/Fe₂(MoO₄)₃ and Na/Fe₂(MoO₄)₃ cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.

Authors:
 [1];  [2];  [3];  [1];  [1];  [3];  [4];  [4];  [4];  [2];  [1]
  1. Fudan Univ., Shanghai (China)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Shanghai Univ., Shanghai (China)
  4. Chinese Academy of Sciences (CAS), Beijing (China)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1182528
Alternate Identifier(s):
OSTI ID: 1191276
Report Number(s):
BNL-107587-2015-JA
Journal ID: ISSN 2045-2322; R&D Project: MA453MAEA; VT1201000
Grant/Contract Number:  
SC00112704; AC02-98CH10886
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; national synchrotron light source

Citation Formats

Yue, Ji-Li, Zhou, Yong-Ning, Shi, Si-Qi, Shadike, Zulipiya, Huang, Xuan-Qi, Luo, Jun, Yang, Zhen-Zhong, Li, Hong, Gu, Lin, Yang, Xiao-Qing, and Fu, Zheng-Wen. Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃. United States: N. p., 2015. Web. doi:10.1038/srep08810.
Yue, Ji-Li, Zhou, Yong-Ning, Shi, Si-Qi, Shadike, Zulipiya, Huang, Xuan-Qi, Luo, Jun, Yang, Zhen-Zhong, Li, Hong, Gu, Lin, Yang, Xiao-Qing, & Fu, Zheng-Wen. Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃. United States. doi:10.1038/srep08810.
Yue, Ji-Li, Zhou, Yong-Ning, Shi, Si-Qi, Shadike, Zulipiya, Huang, Xuan-Qi, Luo, Jun, Yang, Zhen-Zhong, Li, Hong, Gu, Lin, Yang, Xiao-Qing, and Fu, Zheng-Wen. Fri . "Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃". United States. doi:10.1038/srep08810. https://www.osti.gov/servlets/purl/1182528.
@article{osti_1182528,
title = {Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe₂(MoO₄)₃},
author = {Yue, Ji-Li and Zhou, Yong-Ning and Shi, Si-Qi and Shadike, Zulipiya and Huang, Xuan-Qi and Luo, Jun and Yang, Zhen-Zhong and Li, Hong and Gu, Lin and Yang, Xiao-Qing and Fu, Zheng-Wen},
abstractNote = {The key factors governing the single-phase or multi-phase structural change behaviors during the intercalation/deintercalation of guest ions have not been well studied and understood yet. Through systematic studies of orthorhombic Fe₂(MoO₄)₃ electrode, two distinct guest ion occupation paths, namely discrete one for Li and pseudo-continuous one for Na, as well as their relationship with single-phase and two-phase modes for Na⁺ and Li⁺, respectively during the intercalation/deintercalation process have been demonstrated. For the first time, the direct atomic-scale observation of biphasic domains (discrete occupation) in partially lithiated Fe₂(MoO₄)₃ and the one by one Na occupation (pseudo-continuous occupation) at 8d sites in partially sodiated Fe₂(MoO₄)₃ are obtained during the discharge processes of Li/Fe₂(MoO₄)₃ and Na/Fe₂(MoO₄)₃ cells respectively. Our combined experimental and theoretical studies bring the new insights for the research and development of intercalation compounds as electrode materials for secondary batteries.},
doi = {10.1038/srep08810},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Fri Mar 06 00:00:00 EST 2015},
month = {Fri Mar 06 00:00:00 EST 2015}
}

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