Reversible Flat to Rippling Phase Transition in Fe Containing Layered Battery Electrode Materials
Abstract
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.
- Authors:
-
- 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
- Publication Date:
- Research Org.:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1466611
- Report Number(s):
- BNL-207944-2018-JAAM
Journal ID: ISSN 1616-301X
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Functional Materials
- Additional Journal Information:
- Journal Volume: 28; Journal Issue: 39; Journal ID: ISSN 1616-301X
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 29 ENERGY PLANNING, POLICY AND ECONOMY; NaTMO2; Sodium ion battery; density functional theory
Citation Formats
Chen, Xi, Hwang, Sooyeon, Chisnell, Robin, Wang, Yichao, Wu, Fan, Kim, Sooran, Lynn, Jeffrey W., Su, Dong, and Li, Xin. Reversible Flat to Rippling Phase Transition in Fe Containing Layered Battery Electrode Materials. United States: N. p., 2018.
Web. doi:10.1002/adfm.201803896.
Chen, Xi, Hwang, Sooyeon, Chisnell, Robin, Wang, Yichao, Wu, Fan, Kim, Sooran, Lynn, Jeffrey W., Su, Dong, & Li, Xin. Reversible Flat to Rippling Phase Transition in Fe Containing Layered Battery Electrode Materials. United States. https://doi.org/10.1002/adfm.201803896
Chen, Xi, Hwang, Sooyeon, Chisnell, Robin, Wang, Yichao, Wu, Fan, Kim, Sooran, Lynn, Jeffrey W., Su, Dong, and Li, Xin. Tue .
"Reversible Flat to Rippling Phase Transition in Fe Containing Layered Battery Electrode Materials". United States. https://doi.org/10.1002/adfm.201803896. https://www.osti.gov/servlets/purl/1466611.
@article{osti_1466611,
title = {Reversible Flat to Rippling Phase Transition in Fe Containing Layered Battery Electrode Materials},
author = {Chen, Xi and Hwang, Sooyeon and Chisnell, Robin and Wang, Yichao and Wu, Fan and Kim, Sooran and Lynn, Jeffrey W. and Su, Dong and Li, Xin},
abstractNote = {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.},
doi = {10.1002/adfm.201803896},
journal = {Advanced Functional Materials},
number = 39,
volume = 28,
place = {United States},
year = {2018},
month = {7}
}
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