Претраживање
Приказ резултата 1-1 од 1
Supplementary information for the article: Milović, M.D., Vasić Anićijević, D.D., Jugović, D., Anićijević, V.J., Veselinović, L., Mitrić, M., Uskoković, D., 2019. On the presence of antisite defect in monoclinic Li2FeSiO4 – A combined X-Ray diffraction and DFT study. Solid State Sciences 87, 81–86. https://doi.org/10.1016/j.solidstatesciences.2018.11.008
(Solid State Sciences, 2019)
Table S1. Lattice and structural parameters of the prepared Li2FeSiO4; Figure S1. Periodic cells used in DFT calculations: a) 32-atom cell, b) 128-atom cell; Estimation of configuration entropy arising from antisite