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

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

doi:10.1038/srep08810

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

Journal Article · Fri Mar 06 00:00:00 EST 2015 · Scientific Reports

DOI:https://doi.org/10.1038/srep08810· OSTI ID:1182528

Yue, Ji-Li ^[1]; Zhou, Yong-Ning ^[2]; Shi, Si-Qi ^[3]; Shadike, Zulipiya ^[1]; Huang, Xuan-Qi ^[1]; Luo, Jun ^[3]; Yang, Zhen-Zhong ^[4]; Li, Hong ^[4]; Gu, Lin ^[4]; Yang, Xiao-Qing ^[2]; Fu, Zheng-Wen ^[1]

Fudan Univ., Shanghai (China)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Shanghai Univ., Shanghai (China)
Chinese Academy of Sciences (CAS), Beijing (China)

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.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704; AC02-98CH10886

OSTI ID:: 1182528

Alternate ID(s):: OSTI ID: 1191276

Report Number(s):: BNL-107587-2015-JA; R&D Project: MA453MAEA; VT1201000

Journal Information:: Scientific Reports, Vol. 5; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 41 works

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