# Magnetism Enhanced Surface Bonding of O$_{2}$ on CoPt

## TL;DR

This study uses density functional theory to show that magnetic properties of CoPt enhance oxygen molecule bonding, offering insights into designing more efficient catalysts for fuel cells.

## Contribution

It reveals how magnetism in CoPt influences oxygen reduction reactions and demonstrates tuning of adsorption energies by altering Pt layer thickness.

## Key findings

- Spin-polarized Co-d states enhance O2 surface bonding.
- Magnetic exchange splitting affects oxygen adsorption.
- Pt layer thickness modulates adsorption and dissociation energies.

## Abstract

For large-scale deployment and use of polymer electrolyte fuel cells, high-performance electrocatalysts with low platinum consumption are desirable. One promising strategy to meet this demand is to explore alternative materials that retain catalytic efficiency while introducing new mechanisms for performance enhacement. In this study, we investigate a ferromagnetic CoPt as a candidate material to accelerate oxygen reduction reactions. By using density functional theory calculations, we find the spin-polarized Co-$d$ states to enhance O$_2$ surface bonding due to local exchange splitting of Co-$d$ carriers at the Fermi level. Furthermore, O and O$_2$ adsorption and dissociation energies are found to be tuned by varying the thickness of the Pt layers. Our study gives insight into the role magnetism plays in the oxygen reduction reaction process and how magnetic ions may aid in the design of new advanced catalysts.