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Structure of palladium nanoparticles under oxidative conditions

By Cristina Popa, Tianwei Zhu, Ionut Tranca, Payam Kaghazchi, Timo Jacob and Emiel J. M. Hensen

Abstract

Using density functional theory (DFT) and thermodynamic considerations we study the shape and stability of Pd nanoparticles in oxygen-lean and oxygen- rich atmospheres. We find that at very high oxygen coverage cubes exposing (100) faces will form, which are stabilized due to the formation of a Image o/√(5) x √(5)R27° overlayer. The shape of oxygen-covered Pd and Pt nanoparticles is compared in this study

Topics: ddc:540
Year: 2015
DOI identifier: 10.17169/refubium-20054
OAI identifier: oai:refubium.fu-berlin.de:fub188/15867

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