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

Chen, Xi; Hwang, Sooyeon; Chisnell, Robin; Wang, Yichao; Wu, Fan; Kim, Sooran; Lynn, Jeffrey W.; Su, Dong; Li, Xin

doi:10.1002/adfm.201803896

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

Journal Article · 31 July 2018 · Advanced Functional Materials

DOI: https://doi.org/10.1002/adfm.201803896 · OSTI ID:1466611

Chen, Xi ^[1]; Hwang, Sooyeon ^[2]; Chisnell, Robin ^[3]; Wang, Yichao ^[1]; Wu, Fan ^[1]; Kim, Sooran ^[1]; Lynn, Jeffrey W. ^[3]; Su, Dong ^[2]; Li, Xin ^[1]

Harvard Univ., Cambridge, MA (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)
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.

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

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