Why alloying with noble metals does not decrease the oxidation of platinum: a DFT-based thermo-dynamics study.

Despite its well-known nobility, even platinum is subject to corrosion under the harsh conditions that many technical applications require. Based on the assumption that the platinum loss is mainly caused by the formation of volatile PtO, alloying is a promising strategy to reduce it. This investigation explores the bulk stability of Pt-Au, Pt-Ir, Pt-Re, Pt-W, Pt-Ag, Pt-Rh, Pt-Cu, Pt-Ni and Pt-Co, as well as their oxides, utilizing density functional theory, as well as and literature thermodynamic data.

An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.

The development and implementation of safe-by-design strategies is key for the safe development of future generations of nanotechnology enabled products. The safety testing of the huge variety of nanomaterials that can be synthetized is unfeasible due to time and cost constraints. Computational modeling facilitates the implementation of alternative testing strategies in a time and cost effective way.