Lithium-ion diffusion in the grain boundary of polycrystalline solid electrolyte Li6.75La3Zr1.5Ta0.5O12 (LLZTO): a computer simulation and theoretical study-Reference-Cited by-同舟云学术

Lithium-ion diffusion in the grain boundary of polycrystalline solid electrolyte Li_6.75La₃Zr_1.5Ta_0.5O₁₂ (LLZTO): a computer simulation and theoretical study

Published:2022 Issue:44 Volume:24 Page:27355-27361
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cui Jiahao¹,Meng Lingchen²,Jiang Shan³,Wang Kangping¹,Qian Jingyu¹,Wang Xiyang⁴⁵^ORCID

Affiliation:

1. CALB Technology Co., Ltd., Changzhou, 213200, P. R. China

2. Dalian Research Institute of Petroleum and Petrochemicals, Sinopec, Dalian, 116045, P. R. China

3. College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, 116029, P. R. China

4. Department of Mechanical and Mechatronics Engineering, University of Waterloo, Waterloo, N2L 3G1, Canada

5. State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun, 130012, P. R. China

Abstract

Our grain boundary model of solid electrolytes successfully predicts the Li-ion diffusion coefficient in polycrystalline materials, by throwing atoms at random in a virtual box. The slow movement in the grain boundaries is a primary restriction on the Li-ion transport.

Funder

Natural Science Foundation of Jiangsu Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02766F

Reference51 articles.

1. Lithium-ions diffusion kinetic in LiFePO4/carbon nanoparticles synthesized by microwave plasma chemical vapor deposition for lithium-ion batteries

2. Li3V(MoO4)3 as a novel electrode material with good lithium storage properties and improved initial coulombic efficiency

3. Determination of the Lithium Ion Diffusion Coefficient in Graphite