Thermodynamic reassessment of Au–Pt–Sn system

Abstract

Au–Pt–Sn alloys are a novel class of materials with promising catalytic properties. This study provides updated information on phase equilibrium structures and thermodynamics of the Au–Pt–Sn ternary system. The formation enthalpies of Au–Sn and Pt–Sn binary subsystems were predicted by first principles calculations and these values were further refined by CALPHAD method. The results obtained accurately reproduced the experimental data. The reassessed phase diagram of the Au–Pt–Sn ternary system accurately described the phase composition of several Au–Pt–Sn alloys, which is essential for further modifications of these materials.

Keywords

• Au–Pt–Sn system
• CALPHAD
• thermodynamic parameters
• phase equilibrium
• first principles calculations