Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi0.80Co0.15Al0.05O2 Cathode Particles
Abstract
Layered LiNi0.80Co0.15Al0.05O2 (NCA) holds great promise as a potential cathode material for high energy density lithium ion batteries. However, its high capacity is heavily dependent on the stability of its layered structure, which suffers from a severe structure degradation resulting from a not fully understood layered → spinel phase transformation. Using high-resolution transmission electron microscopy and electron diffraction, we probe the atomic structure evolution induced by the layered → spinel phase transformation in the NCA cathode. We show that the phase transformation results in the development of a particle structure with the formation of complete spinel, spinel domains, and intermediate spinel from the surface to the subsurface region. The lattice planes of the complete and intermediate spinel phases are highly interwoven in the subsurface region. The layered → spinel transformation occurs via the migration of transition metal (TM) atoms from the TM layer into the lithium layer. Incomplete migration leads to the formation of the intermediate spinel phase, which is featured by tetrahedral occupancy of TM cations in the lithium layer. Finally, the crystallographic structure of the intermediate spinel is discussed and verified by the simulation of electron diffraction patterns.
- Authors:
-
[1];
[1]
- State Univ. of New York, Binghamton, NY (United States). Materials Science and Engineering Program, and Mechanical Dept.; State Univ. of New York, Binghamton, NY (United States). NorthEast Center for Chemical Energy Storage
- State Univ. of New York, Binghamton, NY (United States). NorthEast Center for Chemical Energy Storage; Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials
- State Univ. of New York, Binghamton, NY (United States). NorthEast Center for Chemical Energy Storage
- Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Northeastern Center for Chemical Energy Storage (NECCES)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1388616
- Grant/Contract Number:
- SC0001294; SC0012583; AC02-98CH10886
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 121; Journal Issue: 3; Related Information: NECCES partners with Stony Brook University (lead); Argonne National Laboratory; Binghamton University; Brookhaven National University; University of California, San Diego; University of Cambridge, UK; Lawrence Berkeley National Laboratory; Massachusetts Institute of Technology; University of Michigan; Rutgers University; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; energy storage (including batteries and capacitors); defects; charge transport; materials and chemistry by design; synthesis (novel materials)
Citation Formats
Zhang, Hanlei, Karki, Khim, Huang, Yiqing, Whittingham, M. Stanley, Stach, Eric A., and Zhou, Guangwen. Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi0.80Co0.15Al0.05O2 Cathode Particles. United States: N. p., 2017.
Web. doi:10.1021/acs.jpcc.6b10220.
Zhang, Hanlei, Karki, Khim, Huang, Yiqing, Whittingham, M. Stanley, Stach, Eric A., & Zhou, Guangwen. Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi0.80Co0.15Al0.05O2 Cathode Particles. United States. https://doi.org/10.1021/acs.jpcc.6b10220
Zhang, Hanlei, Karki, Khim, Huang, Yiqing, Whittingham, M. Stanley, Stach, Eric A., and Zhou, Guangwen. Wed .
"Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi0.80Co0.15Al0.05O2 Cathode Particles". United States. https://doi.org/10.1021/acs.jpcc.6b10220. https://www.osti.gov/servlets/purl/1388616.
@article{osti_1388616,
title = {Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi0.80Co0.15Al0.05O2 Cathode Particles},
author = {Zhang, Hanlei and Karki, Khim and Huang, Yiqing and Whittingham, M. Stanley and Stach, Eric A. and Zhou, Guangwen},
abstractNote = {Layered LiNi0.80Co0.15Al0.05O2 (NCA) holds great promise as a potential cathode material for high energy density lithium ion batteries. However, its high capacity is heavily dependent on the stability of its layered structure, which suffers from a severe structure degradation resulting from a not fully understood layered → spinel phase transformation. Using high-resolution transmission electron microscopy and electron diffraction, we probe the atomic structure evolution induced by the layered → spinel phase transformation in the NCA cathode. We show that the phase transformation results in the development of a particle structure with the formation of complete spinel, spinel domains, and intermediate spinel from the surface to the subsurface region. The lattice planes of the complete and intermediate spinel phases are highly interwoven in the subsurface region. The layered → spinel transformation occurs via the migration of transition metal (TM) atoms from the TM layer into the lithium layer. Incomplete migration leads to the formation of the intermediate spinel phase, which is featured by tetrahedral occupancy of TM cations in the lithium layer. Finally, the crystallographic structure of the intermediate spinel is discussed and verified by the simulation of electron diffraction patterns.},
doi = {10.1021/acs.jpcc.6b10220},
journal = {Journal of Physical Chemistry. C},
number = 3,
volume = 121,
place = {United States},
year = {Wed Jan 11 00:00:00 EST 2017},
month = {Wed Jan 11 00:00:00 EST 2017}
}
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