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The structural and electronic properties of the icosahedral Pd55−nNin (n=0–55) clusters have been investigated within the density functional theory. According to the calculated excess energy, we found that the core–shell Ni13@Pd42 cluster is the most stable structure, and Pd44Ni11 cluster possesses the highest relative stability among the random Pd55−nNin clusters. The calculated first-neighbor...
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