DYNAMICS IN SUPERIONIC LITHIUM-SULFATE LATTICE - PADDLE WHEEL VERSUS PERCOLATION MECHANISM
DSpace at IIT Bombay
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Title |
DYNAMICS IN SUPERIONIC LITHIUM-SULFATE LATTICE - PADDLE WHEEL VERSUS PERCOLATION MECHANISM
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Creator |
BABU, CS
TEMBE, BL |
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Subject |
molecular-dynamics
ion-transport sulfate simulation |
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Description |
We present structural and dynamical results for a model of the lithium sulphate lattice in the superionic phase in which the sulphate-sulphate interaction potential is orientationally averaged. The calculated mobility of the cations and also the structure of the lattice agree quite well with the experimental data. This indicates that the paddling effect of the sulphate tetrahedra on the lithium ion mobility (paddle-wheel mechanism) is of minor importance and that the ion transport process is mainly through the percolation mechanism.
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Publisher |
ELSEVIER SCIENCE BV
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Date |
2011-07-24T19:16:24Z
2011-12-26T12:47:50Z 2011-12-27T05:40:47Z 2011-07-24T19:16:24Z 2011-12-26T12:47:50Z 2011-12-27T05:40:47Z 1992 |
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Type |
Article
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Identifier |
CHEMICAL PHYSICS LETTERS, 194(4-6), 351-354
0009-2614 http://dspace.library.iitb.ac.in/xmlui/handle/10054/6517 http://hdl.handle.net/10054/6517 |
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Language |
en
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