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Diffusion of alkali metals in the first stage graphite intercalation compounds by vdW-DFT calculations
(Journal article; Peer reviewed, 2015)Diffusion of alkali metal cations in the first stage graphite intercalation compounds (GIC) LiC6, NaC6, NaC8 and KC8 has been investigated with density functional theory (DFT) calculations using the optPBE-vdW van der Waals ...