Carbon dissolution and segregation in platinum

Abstract

Density functional studies at show the feasibility of C subsurface incorporation in Platinum occupying tetrahedral sites. A comparative with Ni and Pd highlights that surface relaxation is critical in C dissolution, specially at low-coordinated sites of Pt nanoparticles. Results explain phenomena such as C dissolution and segregation to form graphene from below, and may serve to tune the Pt surface chemical reactivity.