Application of a parallel genetic algorithm to the global optimization of medium-sized Au–Pd sub-nanometre clusters

To contribute to the discussion of the high activity and reactivity of Au–Pd system, we have adopted the BPGA-DFT approach to study the structural and energetic properties of medium-sized Au–Pd sub-nanometre clusters with 11–18 atoms. We have examined the structural behaviour and stability as a func...

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Vydáno v:	The European physical journal. B, Condensed matter physics Ročník 91; číslo 2; s. 1 - 11
Hlavní autoři:	Hussein, Heider A., Demiroglu, Ilker, Johnston, Roy L.
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Berlin/Heidelberg Springer Berlin Heidelberg 12.02.2018 Springer Springer Nature B.V
Témata:	Algorithms Atomic structure Clusters Complex Systems Condensed Matter Physics Doping Energy (Physics) Fluid- and Aerodynamics Genetic algorithms Genetic research Global optimization Gold Molecular orbitals Palladium Physics Physics and Astronomy Regular Article Solid State Physics Stability analysis Stability criteria Structural stability Topical issue: Shaping Nanocatalysts
ISSN:	1434-6028, 1434-6036
On-line přístup:	Získat plný text
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