Auflistung Nach Schlagwort "Electron localization function"

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Optical response, lithiation and charge transfer in Sn-based 211 MAX phases with electron localization function

Hadi M.A., Kelaidis N., Filippatos P.P., Christopoulos S.-R.G., Chroneos A., Naqib S.H., Islam A.K.M.A. (2022)

In this study, optical response, lithiation and charge transfer in existing M2SnC MAX phases with electron localization function (ELF) were investigated for the first time using the density functional theory (DFT). ...