Comprehensive Search for New Phases and Compounds in Binary Alloy Systems Based on Platinum-Group Metals, Using a Computational First-Principles Approach

Binary metallic Platinum Group Metal (PGM) systems are a class of materials important for chemical, petroleum, and automotive industries as well as for aeronautics and electronics. A state-of-the-art high-throughput computational materials modeling yields a large number of predictions of stable new PGM systems that will keep experimental materials scientists busy for years to come.