Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition
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AMMNS015.pdf
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Author(s)
Reed, John
Ceder, Gerbrand
Van Der Ven, A.
Date Issued
January 2002
Series/Report no.
Advanced Materials for Micro- and Nano-Systems (AMMNS);
Abstract
Ab Initio calculations suggest that partially lithiated layered LixMnO₂ transforms to spinel in a two-stage process. In the first stage, a significant fraction of the Mn and Li ions rapidly occupy tetrahedral sites, forming a metastable intermediate. The second stage involves a more difficult coordinated rearrangement of Mn and Li ions to form spinel. This behavior is contrasted to LixCoO₂. The susceptibility of Mn for migration into the Li layer is found to be controlled by oxidation state which suggests various means of inhibiting the transformation. These strategies could prove useful in the creation of superior Mn based cathode materials.
Subjects
spinel phase transition
metastable intermediates
manganese based cathode materials
layered LixMnO2
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