High-throughput screening of Ag-based alloys with various structures for anion-exchange membrane fuel cell

Abstract

Anion exchange membrane fuel cell (AEMFC) is emerging recently because of its advantage of using various materials instead of expensive Pt as an oxygen reduction reaction (ORR) catalyst. However, despite the wide range of available catalytic materials, a material that has sufficient catalytic activity has not yet been found. In order to find new promising catalysts from a wide range of usable materials, a different density functional theory screening method from the conventional one was needed, and we conducted high-throughput screening considering the various crystal structures for Ag-based alloys. As a result, $BaAg_5$ and $SrAg_5$ were proposed as promising oxygen reduction reaction catalysts for AEMFC.