A first-principle calculation of sulfur oxidation on metallic Ni(111) and Pt(111), and bimetallic Ni@Pt(111) and Pt@Ni(111) surfaces.

Sulfur, a pollutant known to poison fuel-cell electrodes, generally comes from S-containing species such as hydrogen sulfide (H(2)S). The S-containing species become adsorbed on a metal electrode and leave atomic S strongly bound to the metal surface. This surface sulfur is completely removed typically by oxidation with O(2) into gaseous SO(2). According to… CONTINUE READING