The use of nanometer-sized hydrographene species for support material for fuel cell electrode catalysts: a theoretical proposal

Phys Chem Chem Phys. 2009 Oct 1;11(37):8275-84. doi: 10.1039/b905866d. Epub 2009 Jul 1.

Abstract

Density functional theory (DFT) calculations propose that nanometer-sized hydrographene species, graphene-based clusters terminated by H atoms are a promising candidate for a support material for Pt catalysts in fuel cell. The proposal is based on the following three criteria: a small HOMO-LUMO gap of a nanometer-sized hydrographene species with and without a Pt cluster being comparable to zero-gap in infinite-size graphene, strengthening interactions of a Pt cluster with hydrographene species by utilizing its edge, and spontaneous H(2) activation by a Pt cluster on a carbon surface.