Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition
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 coor...
| Main Authors: | , , |
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| Format: | Article |
| Language: | en_US |
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2003
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| Online Access: | http://hdl.handle.net/1721.1/3980 |
| _version_ | 1811080932169351168 |
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| author | Reed, John Ceder, Gerbrand Van Der Ven, A. |
| author_facet | Reed, John Ceder, Gerbrand Van Der Ven, A. |
| author_sort | Reed, John |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T11:39:08Z |
| format | Article |
| id | mit-1721.1/3980 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T11:39:08Z |
| publishDate | 2003 |
| record_format | dspace |
| spelling | mit-1721.1/39802019-04-10T18:39:34Z Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition Reed, John Ceder, Gerbrand Van Der Ven, A. spinel phase transition metastable intermediates manganese based cathode materials layered LixMnO2 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. Singapore-MIT Alliance (SMA) 2003-12-20T19:53:11Z 2003-12-20T19:53:11Z 2002-01 Article http://hdl.handle.net/1721.1/3980 en_US Advanced Materials for Micro- and Nano-Systems (AMMNS); 427391 bytes application/pdf application/pdf |
| spellingShingle | spinel phase transition metastable intermediates manganese based cathode materials layered LixMnO2 Reed, John Ceder, Gerbrand Van Der Ven, A. Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition |
| title | Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition |
| title_full | Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition |
| title_fullStr | Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition |
| title_full_unstemmed | Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition |
| title_short | Metastable Intermediate in LixMnO₂ Layered to Spinel Phase Transition |
| title_sort | metastable intermediate in lixmno₂ layered to spinel phase transition |
| topic | spinel phase transition metastable intermediates manganese based cathode materials layered LixMnO2 |
| url | http://hdl.handle.net/1721.1/3980 |
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