Geometry and bonding in small „C60...nNim clusters
نویسندگان
چکیده
Small Nim(C60)n clusters with n1m<4 are studied using the tight-binding molecular-dynamics method generalized to treat heteronuclear systems. Our results confirm recent experimental deduction of the bonding behavior of Ni towards C60 . The direction of the charge transfer is found to depend on the geometry of the Nim(C60)n cluster. Furthermore, the present results reveal a striking dissimilarity in the bonding behavior between Ni-C60 and Ni-graphite systems. @S0163-1829~99!01531-3#
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