Structural, Electronic, Elastic and Dynamical Properties of MCO3 (M: Mn, Co, Ni) Precursor Materials for Li-Ion Batteries: A First-Principles Study von Morukuladi, M. T., Lethole, N. L, Masedi, M. C, Ngoepe, N. N, Ngoepe, P. E

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First-principles studies on the structural, electronic and mechanical properties of L1o and L12 FexPt1-x alloys von Lethole, N L, Chauke, H R, Ngoepe, P E

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First-principles calculations to investigate magnetic, electronic, mechanical and dynamical properties of the bimetallic M-Pt (M: Mn Co and Ni) alloys von Lethole, N.L., Mukumba, P., Makaka, G.

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Thermodynamic stability and pressure dependence of FePO4 polymorphs von Lethole, N.L., Chauke, H.R., Ngoepe, P.E.

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