New Insight into Bulk Structural Degradation of High-Voltage LiCoO at 4.55 V.

Nano Lett

Beijing National Center for Electron Microscopy and Laboratory of Advanced Materials, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, P. R. China.

Published: June 2024

AI Article Synopsis

  • The study identifies a new mechanical degradation mechanism in layered oxide cathodes (specifically LiCoO) under high-voltage charging, involving the formation of kink bands that help preserve structural integrity.
  • These kink bands help manage local stress, which can reduce crack formation and improve performance despite high levels of lithium extraction.
  • Additionally, advanced imaging techniques show that the formation of these kink bands often coincides with a phase change from O3 to O1, which is more energetically favorable, providing new insights into how mechanical failures interact with structural changes in lithium-ion batteries.

Article Abstract

The aggravated mechanical and structural degradation of layered oxide cathode materials upon high-voltage charging invariably causes fast capacity fading, but the underlying degradation mechanisms remain elusive. Here we report a new type of mechanical degradation through the formation of a kink band in a Mg and Ti co-doped LiCoO cathode charged to 4.55 V (vs Li/Li). The local stress accommodated by the kink band can impede crack propagation, improving the structural integrity in a highly delithiated state. Additionally, machine-learning-aided atomic-resolution imaging reveals that the formation of kink bands is often accompanied by the transformation from the O3 to O1 phase, which is energetically favorable as demonstrated by first-principles calculations. Our results provide new insights into the mechanical degradation mechanism of high-voltage LiCoO and the coupling between electrochemically triggered mechanical failures and structural transition, which may provide valuable guidance for enhancing the electrochemical performance of high-voltage layered oxide cathode materials for lithium-ion batteries.

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Source
http://dx.doi.org/10.1021/acs.nanolett.4c00688DOI Listing

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