Operando Lithium Dynamics in the Li-Rich Layered Oxide Cathode Material via Neutron Diffraction
Abstract
Neutron diffraction under operando battery cycling is used to study the lithium and oxygen dynamics of high Li‐rich Li(Li x /3 Ni (3/8‐3 x /8) Co (1/4‐ x /4) Mn (3/8+7 x /24) O 2 ( x = 0.6, HLR) and low Li‐rich Li(Li x /3 Ni (1/3‐ x /3) Co (1/3‐ x /3) Mn (1/3+ x /3) O 2 ( x = 0.24, LLR) compounds that exhibit different degrees of oxygen activation at high voltage. The measured lattice parameter changes and oxygen position show largely contrasting changes for the two cathodes where the LLR exhibits larger movement of oxygen and lattice contractions in comparison to the HLR that maintains relatively constant lattice parameters and oxygen position during the high voltage plateau until the end of charge. Density functional theory calculations show the presence of oxygen vacancy during the high voltage plateau; changes in the lattice parameters and oxygen position are consistent with experimental observations. Lithium migration kinetics for the Li‐rich material is observed under operando conditions for the first time to reveal the rate of lithium extraction from the lithium layer, and transition metal layer is related to the different charge and discharge characteristics. At the beginning of charging,more »
- Authors:
-
- Univ. of California, San Diego, CA (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Envia Systems, Newark, CA (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1261356
- Alternate Identifier(s):
- OSTI ID: 1785873
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Energy Materials
- Additional Journal Information:
- Journal Volume: 6; Journal Issue: 7; Journal ID: ISSN 1614-6832
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 25 ENERGY STORAGE
Citation Formats
Liu, Haodong, An, Ke, Venkatachalam, Subramanian, Qian, Danna, Zhang, Minghao, and Meng, Ying Shirley. Operando Lithium Dynamics in the Li-Rich Layered Oxide Cathode Material via Neutron Diffraction. United States: N. p., 2016.
Web. doi:10.1002/aenm.201502143.
Liu, Haodong, An, Ke, Venkatachalam, Subramanian, Qian, Danna, Zhang, Minghao, & Meng, Ying Shirley. Operando Lithium Dynamics in the Li-Rich Layered Oxide Cathode Material via Neutron Diffraction. United States. https://doi.org/10.1002/aenm.201502143
Liu, Haodong, An, Ke, Venkatachalam, Subramanian, Qian, Danna, Zhang, Minghao, and Meng, Ying Shirley. Wed .
"Operando Lithium Dynamics in the Li-Rich Layered Oxide Cathode Material via Neutron Diffraction". United States. https://doi.org/10.1002/aenm.201502143. https://www.osti.gov/servlets/purl/1261356.
@article{osti_1261356,
title = {Operando Lithium Dynamics in the Li-Rich Layered Oxide Cathode Material via Neutron Diffraction},
author = {Liu, Haodong and An, Ke and Venkatachalam, Subramanian and Qian, Danna and Zhang, Minghao and Meng, Ying Shirley},
abstractNote = {Neutron diffraction under operando battery cycling is used to study the lithium and oxygen dynamics of high Li‐rich Li(Li x /3 Ni (3/8‐3 x /8) Co (1/4‐ x /4) Mn (3/8+7 x /24) O 2 ( x = 0.6, HLR) and low Li‐rich Li(Li x /3 Ni (1/3‐ x /3) Co (1/3‐ x /3) Mn (1/3+ x /3) O 2 ( x = 0.24, LLR) compounds that exhibit different degrees of oxygen activation at high voltage. The measured lattice parameter changes and oxygen position show largely contrasting changes for the two cathodes where the LLR exhibits larger movement of oxygen and lattice contractions in comparison to the HLR that maintains relatively constant lattice parameters and oxygen position during the high voltage plateau until the end of charge. Density functional theory calculations show the presence of oxygen vacancy during the high voltage plateau; changes in the lattice parameters and oxygen position are consistent with experimental observations. Lithium migration kinetics for the Li‐rich material is observed under operando conditions for the first time to reveal the rate of lithium extraction from the lithium layer, and transition metal layer is related to the different charge and discharge characteristics. At the beginning of charging, the lithium extraction predominately occurs within the lithium layer. Once the high voltage plateau is reached, the lithium extraction from the lithium layer slows down and extraction from the transition metal layer evolves at a faster rate.},
doi = {10.1002/aenm.201502143},
journal = {Advanced Energy Materials},
number = 7,
volume = 6,
place = {United States},
year = {Wed Apr 06 00:00:00 EDT 2016},
month = {Wed Apr 06 00:00:00 EDT 2016}
}
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