Structure and thermal stability of AgCu chiral nanoparticles

The structure and thermal stability of AgCu core-shell chiral nanoparticles is investigated by means of global optimization searches and molecular-dynamics simulations within an atomistic model. The most energetically stable structures are searched for depending on the number NAg of Ag atoms in the outer shell. Both icosahedral and C5 symmetry structures are considered. The thermal stability of the structures is studied for magic sizes and compositions by analyzing the melting transition. It is found that chiral shells are the most favourable in a wide range of NAg and that the structures present a notable thermal stability.