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.
Popa, C., Zhu, T., Tranca, I., Kaghazchi, P., Jacob, T., & Hensen, E. J. M. (2015). Structure of palladium nanoparticles under oxidative conditions. Physical Chemistry Chemical Physics, 17(3), 2268-2273. https://doi.org/10.1039/C4CP01761G