Abstract
The geometry of small, silica supported Ni clusters has been studied using quantum mechanical cluster calculations and energy minimization techniques. A strong distortion from a spherical particle shape was found when the metal was in contact with the support. This resulted in a smaller average coordination number compared with isolated metal particles and in an increase of the interatomic distance for small particles.
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Jentys, A., Gay, D.H. & Rohl, A.L. Structure of small Ni clusters on SiO2 . Catal Lett 30, 77–85 (1994). https://doi.org/10.1007/BF00813674
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DOI: https://doi.org/10.1007/BF00813674