TY - JOUR
T1 - Ab initio phase stability and electronic conductivity of the doped-Li4Ti5O12 anode for Li-ion batteries
AU - Tsai, Ping chun
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
N1 - Funding Information:
This work was financially supported by the Ministry of Science and Technology (MOST) under the projects 105-2221-E-006-189-MY3 and 107-2923-E-006-005-MY2, and also the Hierarchical Green-Energy Materials (Hi-GEM) Research Center, from The Featured Areas Research Center Program within the framework of the Higher Education Sprout Project by the Ministry of Education (MOE) and MOST (107-3017-F-006 -003) in Taiwan.
Funding Information:
This work was financially supported by the Ministry of Science and Technology (MOST) under the projects 105-2221-E-006-189-MY3 and 107-2923-E-006-005-MY2 , and also the Hierarchical Green-Energy Materials (Hi-GEM) Research Center , from The Featured Areas Research Center Program within the framework of the Higher Education Sprout Project by the Ministry of Education (MOE) and MOST ( 107-3017-F-006 -003 ) in Taiwan.
Publisher Copyright:
© 2019 Acta Materialia Inc.
PY - 2019/8/15
Y1 - 2019/8/15
N2 - 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.
AB - 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.
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U2 - 10.1016/j.actamat.2019.06.014
DO - 10.1016/j.actamat.2019.06.014
M3 - Article
AN - SCOPUS:85067399675
SN - 1359-6454
VL - 175
SP - 196
EP - 205
JO - Acta Materialia
JF - Acta Materialia
ER -