Phase diagram and electrochemical properties of mixed olivines from first-principles calculations
Using first-principles calculations, we study the effect of cation substitution on the transition-metal sublattice in phospho-olivines, with special attention given to the Li[subscript x](Fe[subscript 1−y]Mn[subscript y])PO[subscript 4] system. We use a cluster expansion model derived from first-pri...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Physical Society
2010
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| Online Access: | http://hdl.handle.net/1721.1/51738 |