Uncovering the roles of oxygen vacancies in cation migration in lithium excess layered oxides

Danna Qian; Bo Xu; Miaofang Chi; Ying Shirley Meng

doi:10.1039/c4cp01799d

Uncovering the roles of oxygen vacancies in cation migration in lithium excess layered oxides

Danna Qian, Bo Xu, Miaofang Chi, Ying Shirley Meng

electron Microscopy and Microanalysis

Research output: Contribution to journal › Article › peer-review

266 Scopus citations

Abstract

A novel oxygen vacancy assisted transition metal (TM) diffusion mechanism is proposed for the first time to explain the near-surface phase transformation in lithium excess transition metal layered oxides. Oxygen vacancies and TM migration have been observed at nm scale spatial resolution by Scanning Transmission Electron Microscopy and Electron Energy Loss Spectroscopy. Formation of (dilute) oxygen vacancies and their roles in assisting transition metal ion diffusion were further investigated using first principles calculations. The activation barriers of TM diffusion in the presence of oxygen vacancies are drastically reduced and consistently in a reasonable range for room temperature diffusion.

Original language	English
Pages (from-to)	14665-14668
Number of pages	4
Journal	Physical Chemistry Chemical Physics
Volume	16
Issue number	28
DOIs	https://doi.org/10.1039/c4cp01799d
State	Published - Jul 28 2014

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abstract = "A novel oxygen vacancy assisted transition metal (TM) diffusion mechanism is proposed for the first time to explain the near-surface phase transformation in lithium excess transition metal layered oxides. Oxygen vacancies and TM migration have been observed at nm scale spatial resolution by Scanning Transmission Electron Microscopy and Electron Energy Loss Spectroscopy. Formation of (dilute) oxygen vacancies and their roles in assisting transition metal ion diffusion were further investigated using first principles calculations. The activation barriers of TM diffusion in the presence of oxygen vacancies are drastically reduced and consistently in a reasonable range for room temperature diffusion.",

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AB - A novel oxygen vacancy assisted transition metal (TM) diffusion mechanism is proposed for the first time to explain the near-surface phase transformation in lithium excess transition metal layered oxides. Oxygen vacancies and TM migration have been observed at nm scale spatial resolution by Scanning Transmission Electron Microscopy and Electron Energy Loss Spectroscopy. Formation of (dilute) oxygen vacancies and their roles in assisting transition metal ion diffusion were further investigated using first principles calculations. The activation barriers of TM diffusion in the presence of oxygen vacancies are drastically reduced and consistently in a reasonable range for room temperature diffusion.

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Uncovering the roles of oxygen vacancies in cation migration in lithium excess layered oxides

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