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Entropy favored ordering: Phase stability of Ni3Pt revisited by first-principles

✍ Scribed by Shun-Li Shang; Yi Wang; Yong Du; Zi-Kui Liu


Book ID
116574768
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
260 KB
Volume
18
Category
Article
ISSN
0966-9795

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A first-order transition at 290 K in LiMn 2 O 4 with a cubic spinel-type structure is known to degrade the electrochemical performance of the positive electrode of rechargeable lithium-ion batteries. Using firstprinciples density functional theory (DFT), we confirm that the phase transition is induc