Predicted trends of core-shell preferences for bimetallic nanoparticles by molecular dynamics
We present predicted trends of core-shell preferences obtained by molecular dynamics (MD) simulations for 28 bimetallic nanoparticle systems (approximately 4 nm in diameter) composed of 8 metals; Ag, Cu, Au, Pd, Fe, Co, Ni, and Pt. The two single-element FCC crystals were heated up to the melting temperature to form a bimetallic system and subsequently cooled to a room temperature. The core-shell