Ragavendran, K. and Chou, H.L. and Lu, L. and Lai, M.O. and Hwang, B.J. and Kumar, R.R. and Gopukumar, S. and Bosco, E. and Vasudevan, D. and Sherwood, D. (2011) Crystal habits of LiMn2O4 and their influence on the electrochemical performance. Materials Science and Engineering B, 176 (016). pp. 1257-1263. ISSN 0921-5107

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Crystal habits of LiMn2O4 prepared through a sol–gel method using different starting materials (metal acetates and metal nitrates) are studied using a crystal shape algorithm. Density functional theory (DFT) as implemented in VASP is employed to study the thermodynamic stabilities and the electronic structure of the different hkl planes of LiMn2O4, as identified by the crystal shape algorithm. The crystal habit of lithium manganate prepared through the metal acetate route, LiMn2O4 (A), seems to possess a higher thermodynamic stability compared to the metal nitrate route viz. LiMn2O4 (N). Electrochemical cycling measurements show that the capacity retention in LiMn2O4 (A) is better than LiMn2O4 (N) at low (C/10) as well as at higher (5C) rates

Item Type: Article
Uncontrolled Keywords: Lithium manganate; Crystal habits; Crystal shape algorithm; Density functional theory; Lithium batteries
Subjects: Lithium batteries
Electrochemical Power Sources
Depositing User: ttbdu cecri
Date Deposited: 19 Nov 2012 08:03
Last Modified: 19 Nov 2012 08:03
URI: http://cecri.csircentral.net/id/eprint/2919

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