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Title: Elucidating the Limit of Li Insertion into the Spinel Li 4Ti 5O 12

Abstract

Here in this work, we show that the well-known lithium-ion anode material, Li 4Ti 5O 12, 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 Li 7Ti 5O 12. Neutron diffraction analyses identify that additional Li reversibly enters into the Li 7Ti 5O 12 to form Li 8Ti 5O 12. density functional theory (DFT) calculations reveal the average potentials of the Li 4Ti 5O 12 to Li 7Ti 5O 12 step and the Li 7Ti 5O 12 to Li 8Ti 5O 12 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 Li 4Ti 5O 12 during its first cycle originates from the formation of a solid electrolyte interface (SEI) layer. This work clarifies the fundamental lithiation mechanism of the Li 4Ti 5O 12, when lithiated to 0.01 V vs L

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1];  [2];  [3];  [4];  [5];  [1];  [1];  [1];  [1];  [1];  [3];  [3];  [2];  [2];  [4]; ORCiD logo [1]; ORCiD logo [1]
  1. Univ. of California, San Diego, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Univ. of California, Irvine, CA (United States)
  5. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1529890
Report Number(s):
BNL-211805-2019-JAAM
Journal ID: ISSN 2639-4979
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
ACS Materials Letters
Additional Journal Information:
Journal Volume: 1; Journal Issue: 1; Journal ID: ISSN 2639-4979
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. 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, and Liu, Ping. Wed . "Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12". United States. doi:10.1021/acsmaterialslett.9b00099.
@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 = {Here 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 L},
doi = {10.1021/acsmaterialslett.9b00099},
journal = {ACS Materials Letters},
number = 1,
volume = 1,
place = {United States},
year = {2019},
month = {5}
}

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This content will become publicly available on May 1, 2020
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