Presentation Information
[PS1-60]First-Principles Density Functional Theory with Cluster Expansion and Monte Carlo Simulation: NaxMnPO4 Arrangement
*Ratshilumela Steve Dima1,3, David Tshwane1,2, Prettier Maleka1, Eric Maluta2,3, Regina Maphanga1,2 (1. CSIR (South Africa), 2. National Institute of Theoretical Physics (South Africa), 3. University of Venda (South Africa))
Keywords:
cluster expansion,Monte Carlo Simulation,Energy storage,Sodium-ion
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