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Title: Reversible Flat to Rippling Phase Transition in Fe Containing Layered Battery Electrode Materials

Journal Article · · Advanced Functional Materials
 [1];  [2];  [3];  [1];  [1];  [1];  [3];  [2];  [1]
  1. Harvard Univ., Cambridge, MA (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Center for Neutron Research

Layered sodium transition metal oxides of NaTMO2 (TM = 3d transition metal) show unique capability to mix different compositions of Fe to the TM layer, a phenomenon that does not exist in LiTMO2. Here we report a novel spontaneous TM layer rippling in the sodium ion battery cathode materials, revealed by in-situ X-ray diffraction, Cs-corrected scanning transmission electron microscopy and density functional theory simulation, where the softening and distortion of FeO6 octahedra collectively drives the flat TM planes into rippled ones with inhomogeneous interlayer distance at high voltage. In such a rippling phase, charge and discharge of Na ions take different evolution pathways, resulting in an unusual hysteresis voltage loop. Importantly, upon discharge beyond a certain Na composition, the rippling TM layer will go back to flat, giving the reversibility of such structural evolution in the following cycles.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0012704
OSTI ID:
1466611
Report Number(s):
BNL-207944-2018-JAAM
Journal Information:
Advanced Functional Materials, Vol. 28, Issue 39; ISSN 1616-301X
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English

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