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Effects of Al-doping on the stabilization of monoclinic LiMnO2

โœ Scribed by Zu-Fei Huang; Chun-Zhong Wang; Xing Meng; Deng-Pan Wang; Gang Chen

Book ID
108195384
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
418 KB
Volume
179
Category
Article
ISSN
0022-4596

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The structural stability of NaB x Mn 1-x O 2 , where x = 0.0-0.375 has been studied using the Vienna ab initio simulation package (VASP), employing density functional theory (DFT) within the generalized gradient approximation (GGA). In addition, the structural stability of the oxides with 75% vacanc