Please use this identifier to cite or link to this item: https://doi.org/10.1021/acs.chemmater.8b00649
Title: Particle Morphology and Lithium Segregation to Surfaces of the Li7La3Zr2O12 Solid Electrolyte
Authors: PIEREMANUELE CANEPA 
Dawson, James A
Gautam, Gopalakrishnan Sai
Statham, Joel M
Parker, Stephen C
Islam, M Saiful
Keywords: Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Materials Science, Multidisciplinary
Chemistry
Materials Science
LI ION CONDUCTORS
ELECTROCHEMICAL PROPERTIES
INTERFACE STABILITY
MIXED CONDUCTORS
STUFFED GARNETS
GRAIN-SIZE
BATTERY
CONDUCTIVITY
TEMPERATURE
TRANSPORT
Issue Date: 8-May-2018
Publisher: AMER CHEMICAL SOC
Citation: PIEREMANUELE CANEPA, Dawson, James A, Gautam, Gopalakrishnan Sai, Statham, Joel M, Parker, Stephen C, Islam, M Saiful (2018-05-08). Particle Morphology and Lithium Segregation to Surfaces of the Li7La3Zr2O12 Solid Electrolyte. CHEMISTRY OF MATERIALS 30 (9) : 3019-3027. ScholarBank@NUS Repository. https://doi.org/10.1021/acs.chemmater.8b00649
Abstract: Solid electrolytes for solid-state Li-ion batteries are stimulating considerable interest for next-generation energy storage applications. The Li7La3Zr2O12 garnet-type solid electrolyte has received appreciable attention as a result of its high ionic conductivity. However, several challenges for the successful application of solid-state devices based on Li7La3Zr2O12 remain, such as dendrite formation and maintaining physical contact at interfaces over many Li intercalation/extraction cycles. Here, we apply first-principles density functional theory to provide insights into the Li7La3Zr2O12 particle morphology under various physical and chemical conditions. Our findings indicate Li segregation at the surfaces, suggesting Li-rich grain boundaries at typical synthesis and sintering conditions. On the basis of our results, we propose practical strategies to curb Li segregation at the Li7La3Zr2O12 interfaces. This approach can be extended to other Li-ion conductors for the design of practical energy storage devices.
Source Title: CHEMISTRY OF MATERIALS
URI: https://scholarbank.nus.edu.sg/handle/10635/209480
ISSN: 0897-4756
1520-5002
DOI: 10.1021/acs.chemmater.8b00649
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