Improvement of Thermodynamic Phase Stability and High-Rate Capability of Li Layered Oxides

Ji Hwan Kim, Juncheol Hwang, Young Hoon Lee, Seok Hyun Song, Jaewoon Lee, Si Hwan Lee, Won Jin Moon, Hyungsub Kim, Duho Kim, Seung Ho Yu, Yung Eun Sung

Research output: Contribution to journalArticlepeer-review


The use of elemental doping in lithium cobalt oxide (LCO) cathode material at high cutoff voltage is a widely adopted technique in the field of rechargeable batteries to mitigate multiple unfavorable phase transitions. However, there is still a lack of fundamental understanding regarding the rationality of each doping element implemented in this method, specifically considering the various thermodynamic stability and phase transitions. Herein, we investigated the effect of Ti doping on an O2 phase LCO (LCTO) cathode material that exhibited enhanced rate performance. We suggest that the incorporation of Ti into an O2 phase LCO results in the mitigation of multiple-phase transitions and the improvement of phase stability, thereby yielding a high-rate-capable cathode material. Through a combination of experimental and computational calculations, we demonstrate that Ti doping improves the thermodynamic stability and kinetics of Li-ions during the cycling process.

Original languageEnglish
Pages (from-to)55837-55847
Number of pages11
JournalACS Applied Materials and Interfaces
Issue number48
Publication statusPublished - 2023 Dec 6

Bibliographical note

Publisher Copyright:
© 2023 American Chemical Society.


  • first-principles calculations
  • high-rate capability
  • ion-exchange
  • lithium-ion battery
  • thermodynamic phase stability

ASJC Scopus subject areas

  • General Materials Science


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