Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12
Abstract
© 2019 American Chemical Society. In this work, we show that the well-known lithium-ion anode material, Li4Ti5O12, exhibits exceptionally high initial capacity of 310 mAh g-1 when it is discharged to 0.01 V. It maintains a reversible capacity of 230 mAh g-1, far exceeding the "theoretical" capacity of 175 mAh g-1 when this anode is lithiated to the composition Li7Ti5O12. Neutron diffraction analyses identify that additional Li reversibly enters into the Li7Ti5O12 to form Li8Ti5O12. density functional theory (DFT) calculations reveal the average potentials of the Li4Ti5O12 to Li7Ti5O12 step and the Li7Ti5O12 to Li8Ti5O12 step are 1.57 and 0.19 V, respectively, which are in excellent agreement with experimental results. Transmission electron microscopy (TEM) studies confirm that the irreversible capacity of Li4Ti5O12 during its first cycle originates from the formation of a solid electrolyte interface (SEI) layer. This work clarifies the fundamental lithiation mechanism of the Li4Ti5O12, when lithiated to 0.01 V vs Li.
- Authors:
-
[1];
[1];
[1];
[1]
- Univ. of California, San Diego, CA (United States)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of California, Irvine, CA (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Lab. (BNL), Upton, NY (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- OSTI Identifier:
- 1529890
- Alternate Identifier(s):
- OSTI ID: 1606681; OSTI ID: 1630612
- Report Number(s):
- BNL-211805-2019-JAAM
Journal ID: ISSN 2639-4979
- Grant/Contract Number:
- AC05-00OR22725; SC0012704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Materials Letters
- Additional Journal Information:
- Journal Volume: 1; Journal Issue: 1; Journal ID: ISSN 2639-4979
- Publisher:
- ACS Publications
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 25 ENERGY STORAGE
Citation Formats
Liu, Haodong, Zhu, Zhuoying, Huang, Jason, He, Xin, Chen, Yan, Zhang, Rui, Lin, Ruoqian, Li, Yejing, Yu, Sicen, Xing, Xing, Yan, Qizhang, Li, Xiangguo, Frost, Matthew J., An, Ke, Feng, Jun, Kostecki, Robert, Xin, Huolin, Ong, Shyue Ping, and Liu, Ping. Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12. United States: N. p., 2019.
Web. doi:10.1021/acsmaterialslett.9b00099.
Liu, Haodong, Zhu, Zhuoying, Huang, Jason, He, Xin, Chen, Yan, Zhang, Rui, Lin, Ruoqian, Li, Yejing, Yu, Sicen, Xing, Xing, Yan, Qizhang, Li, Xiangguo, Frost, Matthew J., An, Ke, Feng, Jun, Kostecki, Robert, Xin, Huolin, Ong, Shyue Ping, & Liu, Ping. Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12. United States. https://doi.org/10.1021/acsmaterialslett.9b00099
Liu, Haodong, Zhu, Zhuoying, Huang, Jason, He, Xin, Chen, Yan, Zhang, Rui, Lin, Ruoqian, Li, Yejing, Yu, Sicen, Xing, Xing, Yan, Qizhang, Li, Xiangguo, Frost, Matthew J., An, Ke, Feng, Jun, Kostecki, Robert, Xin, Huolin, Ong, Shyue Ping, and Liu, Ping. Wed .
"Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12". United States. https://doi.org/10.1021/acsmaterialslett.9b00099. https://www.osti.gov/servlets/purl/1529890.
@article{osti_1529890,
title = {Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12},
author = {Liu, Haodong and Zhu, Zhuoying and Huang, Jason and He, Xin and Chen, Yan and Zhang, Rui and Lin, Ruoqian and Li, Yejing and Yu, Sicen and Xing, Xing and Yan, Qizhang and Li, Xiangguo and Frost, Matthew J. and An, Ke and Feng, Jun and Kostecki, Robert and Xin, Huolin and Ong, Shyue Ping and Liu, Ping},
abstractNote = {© 2019 American Chemical Society. In this work, we show that the well-known lithium-ion anode material, Li4Ti5O12, exhibits exceptionally high initial capacity of 310 mAh g-1 when it is discharged to 0.01 V. It maintains a reversible capacity of 230 mAh g-1, far exceeding the "theoretical" capacity of 175 mAh g-1 when this anode is lithiated to the composition Li7Ti5O12. Neutron diffraction analyses identify that additional Li reversibly enters into the Li7Ti5O12 to form Li8Ti5O12. density functional theory (DFT) calculations reveal the average potentials of the Li4Ti5O12 to Li7Ti5O12 step and the Li7Ti5O12 to Li8Ti5O12 step are 1.57 and 0.19 V, respectively, which are in excellent agreement with experimental results. Transmission electron microscopy (TEM) studies confirm that the irreversible capacity of Li4Ti5O12 during its first cycle originates from the formation of a solid electrolyte interface (SEI) layer. This work clarifies the fundamental lithiation mechanism of the Li4Ti5O12, when lithiated to 0.01 V vs Li.},
doi = {10.1021/acsmaterialslett.9b00099},
journal = {ACS Materials Letters},
number = 1,
volume = 1,
place = {United States},
year = {Wed May 01 00:00:00 EDT 2019},
month = {Wed May 01 00:00:00 EDT 2019}
}
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