Abstract
Gupta potential calculations on 98-atom Pd–Pt nanoalloys (using a combined GA and BHMC algorithms) indicate that the most stable structures adopt the Leary tetrahedron (LT) geometry, originally discovered as the global minimum structure for 98 atom Lennard–Jones clusters. Similar to our results for 34-atom Pd–Pt nanoalloys, Pd atoms are found to segregate to surface sites.
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© 2011 Springer-Verlag Berlin Heidelberg
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Paz Borbón, L.O. (2011). Conclusions and Future Work. In: Computational Studies of Transition Metal Nanoalloys. Springer Theses, vol 1. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-18012-5_9
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DOI: https://doi.org/10.1007/978-3-642-18012-5_9
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