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Structure of palladium nanoparticles under oxidative conditions†
Cristina Popa,Tianwei Zhu,Ionut Tranca,Payam Kaghazchi,Emiel J. M. Hensen
Physical Chemistry Chemical Physics Pub Date : 12/08/2014 00:00:00 , DOI:10.1039/C4CP01761G
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 ID:c4cp01761g-t1.gif overlayer. The shape of oxygen-covered Pd and Pt nanoparticles is compared in this study.

Graphical abstract: Structure of palladium nanoparticles under oxidative conditions
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