Issue 28, 2014
From the journal:

Physical Chemistry Chemical Physics

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

Danna Qian,a   Bo Xu,b   Miaofang Chic  and  Ying Shirley Meng*a  

* Corresponding authors

a Department of NanoEngineering, University of California San Diego, La Jolla, CA 92093, USA
E-mail: shirleymeng@ucsd.edu

b Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

c Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, USA

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.

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

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Article information

DOI
https://doi.org/10.1039/C4CP01799D
Article type
Communication
Submitted
25 Apr 2014
Accepted
04 Jun 2014
First published
04 Jun 2014
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2014,16, 14665-14668

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

D. Qian, B. Xu, M. Chi and Y. S. Meng, Phys. Chem. Chem. Phys., 2014, 16, 14665 DOI: 10.1039/C4CP01799D

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