Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 3(17), p. 2268-2273, 2015
DOI: 10.1039/c4cp01761g
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Structure of palladium nanoparticles under oxidative conditions
Journal article published in 2015 by
Cristina Popa,
Tianwei Zhu,
Ionut Tranca,
Payam Kaghazchi,
Timo Jacob,
Ejm Emiel Hensen,
Emiel J. M. Hensen
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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 overlayer. The shape of oxygen-covered Pd and Pt nanoparticles is compared in this study.