title: Phase-sensitivity of Li intercalation into Sn.
abstract: Using density functional theory, we investigate Li intercalation into Sn and find a strong phase-sensitivity in the energy barriers. The rate determining steps of this process are bulk diffusion and surface penetration in α-Sn and β-Sn, respectively. Although the energy barrier for bulk diffusion is lower in β-Sn, the energy barrier for surface intercalation is much higher in β-Sn than in α-Sn. Our calculations suggest that Li intercalation into α-Sn nanoparticles is kinetically more favorable than β-Sn nanoparticles.
authors.affiliation: Institute for Electrochemistry, Ulm University, Albert-Einstein-Allee 47, D-89069 Ulm, Germany. payam.kaghazchi@uni-ulm.de
authors.forename: Payam
authors.initials: P
authors.lastname: Kaghazchi