Author/Authors :
Ragavendran، نويسنده , , K. L. Chou، نويسنده , , H.L. and Lu، نويسنده , , L. and Lai، نويسنده , , Man On and Hwang، نويسنده , , B.J. and Ravi Kumar، نويسنده , , R. and Gopukumar، نويسنده , , S. and Emmanuel، نويسنده , , Bosco and Vasudevan، نويسنده , , D. and Sherwood، نويسنده , , D.، نويسنده ,
Abstract :
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.
Keywords :
Lithium manganate , Crystal habits , Crystal shape algorithm , Density functional theory , Lithium batteries
