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

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.
 [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:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 2045-2322; R&D Project: MA453MAEA; VT1201000
Grant/Contract Number:
SC00112704; AC02-98CH10886
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Nature Publishing Group
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
25 ENERGY STORAGE; national synchrotron light source