Abstract
Based on density functional calculations, we show that steps on the α-Al 2O 3(0 0 0 1) surface are enriched in oxygen and that they bind Pd atoms and small clusters much stronger than the terraces. We also show that Pd can diffuse quite freely on an alumina surface and use this to explain why STM studies of Pd island nucleation always find metal nanoclusters to be associated with linear defects.
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