title: Structure of palladium nanoparticles under oxidative conditions.
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 O/(√5 × √5)R27° overlayer. The shape of oxygen-covered Pd and Pt nanoparticles is compared in this study.
authors.affiliation: Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, Den Dolech 2, 5612 AZ Eindhoven, The Netherlands. e.j.m.hensen@tue.nl.
authors.forename: Cristina
authors.initials: C
authors.lastname: Popa
authors.forename: Tianwei
authors.initials: T
authors.lastname: Zhu
authors.forename: Ionut
authors.initials: I
authors.lastname: Tranca
authors.forename: Payam
authors.initials: P
authors.lastname: Kaghazchi
authors.forename: Timo
authors.initials: T
authors.lastname: Jacob
authors.forename: Emiel J M
authors.initials: EJ
authors.lastname: Hensen