Geometry and bonding in small ( C 60 ) n Ni m clusters

作者: Antonis N. Andriotis , Madhu Menon

DOI: 10.1103/PHYSREVB.60.4521

关键词: Cluster (physics)Molecular physicsPhysicsHeteronuclear moleculeCharge (physics)Geometry

摘要: Small ${\mathrm{Ni}}_{m}({\mathrm{C}}_{60}{)}_{n}$ clusters with $n+ml~4$ are studied using the tight-binding molecular-dynamics method generalized to treat heteronuclear systems. Our results confirm recent experimental deduction of bonding behavior Ni towards ${\mathrm{C}}_{60}.$ The direction charge transfer is found depend on geometry cluster. Furthermore, present reveal a striking dissimilarity in between $\mathrm{Ni}\ensuremath{-}{\mathrm{C}}_{60}$ and Ni-graphite

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