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Malatji, KT, Santos-Carballal, D, Terranova, U et al. (2 more authors) (2021) Controlling the lithium intercalation voltage in the Li(Mn1-xNix)₂O₄ spinel via tuning of the Ni concentration: a Density Functional Theory study. South African Journal of Chemistry. ISSN 0379-4350 (In Press)

Ramogayana, B, Santos-Carballal, D, Aparicio, PA et al. (4 more authors) (2020) Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1−xMn2O4 spinel (0.000 < x < 0.375): a DFT+U-D3 study. Physical Chemistry Chemical Physics, 22 (12). pp. 6763-6771. ISSN 1463-9076

Santos-Carballal, D, Ngoepe, PE and de Leeuw, NH (2018) Ab initio investigation of the thermodynamics of cation distribution and of the electronic and magnetic structures in the LiMn₂O₄ spinel. Physical Review B, 97 (8). 085126. ISSN 2469-9950

Hernandez-Tamargo, CE, Roldan, A, Ngoepe, PE et al. (1 more author) (2017) Periodic modeling of zeolite Ti-LTA. The Journal of Chemical Physics, 147 (7). 074701. ISSN 0021-9606

This list was generated on Sun Oct 17 10:12:23 2021 BST.