Surface Stability of Spinel MgNi0.5Mn1.5O4 and MgMn2O4 as Cathode Materials for Magnesium Ion Batteries

Jin, Wei, Yin, Guangqiang and Fu, Yong Qing (2016) Surface Stability of Spinel MgNi0.5Mn1.5O4 and MgMn2O4 as Cathode Materials for Magnesium Ion Batteries. Applied Surface Science, 385. pp. 72-79. ISSN 1873-5584

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Official URL: http://dx.doi.org/10.1016/j.apsusc.2016.05.096

Abstract

Rechargeable ion batteries based on the intercalation of multivalent ions are attractive due to their high energy density and structural stability. Surface of cathode materials plays an important role for the electrochemical performance of the rechargeable ion batteries. In this work we calculated surface energies of (001), (110) and (111) facets with different terminations in spinel MgMn2O4 and MgNi0.5Mn1.5O4 cathodes. Results showed clearly that atomic reconstruction occurred due to surface relaxation. The surface energies for the (001), (110) and (111) surfaces of the MgNi0.5Mn1.5O4 were 0.08, 0.13 and 0.11 J/m2, respectively, whereas those of the Ni-doped MgMn2O4 showed less dependence on the surface structures.

Item Type: Article
Uncontrolled Keywords: Surface stability; Mg ion batteries; Density functional theory
Subjects: F200 Materials Science
Department: Faculties > Engineering and Environment > Physics and Electrical Engineering
Depositing User: Nicola King
Date Deposited: 26 May 2016 10:20
Last Modified: 24 May 2017 13:35
URI: http://nrl.northumbria.ac.uk/id/eprint/26953

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