Photo from archive.org
Abstract The adsorption of H 2 S, HS, S, H and the dissociation of H 2 S on the Ni 2 Pb/Ni (1 1 1) are systematically studied using the first-principles method… Click to show full abstract
Abstract The adsorption of H 2 S, HS, S, H and the dissociation of H 2 S on the Ni 2 Pb/Ni (1 1 1) are systematically studied using the first-principles method based on density functional theory. It is found that H 2 S dissociation barriers are greatly increased by alloying with Pb atoms in the Ni(1 1 1) surface, while the barrier for H 2 S formation is greatly reduced. In addition, the adsorption of sulfur atom is weakened a lot. The results indicate that alloying with Pb may be a good way to increase the sulfur tolerance of Ni based anode catalysts of solid oxide fuel cells.
Journal Title: Surface Science
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!