First-Principles Calculation, Synthesis, and Catalytic Properties of Rh-Cu Alloy Nanoparticles

The first synthesis of pure Rh_1-x Cu_x solid-solution nanoparticles is reported. In contrast to the bulk state, the solid-solution phase was stable up to 750 °C. Based on facile density-functional calculations, we made a prediction that the catalytic activity of Rh_1-x Cu_x can be maintained even with 50 at % replacement of Rh with Cu. The prediction was confirmed for the catalytic activities on CO and NO_x conversions.