Ab initio phase stability and electronic conductivity of the doped-Li4Ti5O12 anode for Li-ion batteries

Ping chun Tsai, Ralph Nicolai Nasara, Yu chen Shen, Chih chao Liang, You wen Chang, Wen-Dung Hsu, Ngoc Thanh Thuy Tran, Shih-kang Lin

研究成果: Article

1 引文 (Scopus)

摘要

The Li4Ti5O12 (LTO) defect spinel is known for its excellent durability of “10,000” cycle counts and high level of safety as an anode material in lithium-ion batteries, but it shows an intrinsic insulating property and poor electrochemical kinetics. Doping is a direct approach to manipulate the electronic conductivity of LTO. However, doping may induce multiple effects influencing the overall electrochemical kinetics, e.g., changing the size of particles and the ionic and electronic conductivities. Here we systematically investigated the phase stability, electronic conductivity, and electrochemical kinetics of M-doped LTO (M = Na, K, Mg, Ca, Sr, Al, and Ga). With both ab initio calculations and experiments, the mechanism of electron transport within LTO is elucidated, the desired type of dopants for improving electronic conductivity of LTO is clarified, and the role of electronic conductivity in the electrochemical kinetics of LTO is revealed. These results provide an in-depth understanding of metal-doped LTO and would help the development of a variety of electrode materials.

原文English
頁(從 - 到)196-205
頁數10
期刊Acta Materialia
175
DOIs
出版狀態Published - 2019 八月 15

指紋

Phase stability
Anodes
Kinetics
Doping (additives)
Durability
Metals
Defects
Electrodes
Lithium-ion batteries
Experiments

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys

引用此文

Tsai, Ping chun ; Nasara, Ralph Nicolai ; Shen, Yu chen ; Liang, Chih chao ; Chang, You wen ; Hsu, Wen-Dung ; Thuy Tran, Ngoc Thanh ; Lin, Shih-kang. / Ab initio phase stability and electronic conductivity of the doped-Li4Ti5O12 anode for Li-ion batteries. 於: Acta Materialia. 2019 ; 卷 175. 頁 196-205.
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Ab initio phase stability and electronic conductivity of the doped-Li4Ti5O12 anode for Li-ion batteries. / Tsai, Ping chun; Nasara, Ralph Nicolai; Shen, Yu chen; Liang, Chih chao; Chang, You wen; Hsu, Wen-Dung; Thuy Tran, Ngoc Thanh; Lin, Shih-kang.

於: Acta Materialia, 卷 175, 15.08.2019, p. 196-205.

研究成果: Article

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AU - Nasara, Ralph Nicolai

AU - Shen, Yu chen

AU - Liang, Chih chao

AU - Chang, You wen

AU - Hsu, Wen-Dung

AU - Thuy Tran, Ngoc Thanh

AU - Lin, Shih-kang

PY - 2019/8/15

Y1 - 2019/8/15

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