双金属片
催化作用
过渡金属
化学
吸附
氨
金属
背景(考古学)
反应机理
合金
无机化学
电化学
氧化还原
光化学
物理化学
电极
有机化学
生物
古生物学
作者
Jeffrey A. Herron,Peter Ferrin,Manos Mavrikakis
摘要
We investigate the catalytic electro-oxidation of ammonia on model close-packed surfaces of Au, Ag, Cu, Pd, Pt, Ni, Ir, Co, Rh, Ru, Os, and Re to derive insights for the reaction mechanism and evaluate the catalysts based on their energy efficiency and activity in the context of their application in fuel cells. Two mechanisms, which are differentiated by their N–N bond formation step, are compared: (1) a mechanism proposed by Gerischer and Mauerer, whereby the N–N bond formation occurs between hydrogenated NHx adsorbed species, and (2) a mechanism in which N–N bond formation occurs between N adatoms. The results of our study show that the mechanism proposed by Gerischer and Mauerer is kinetically preferred and that the formation of N adatoms poisons the surface of the catalyst. On the basis of a simple Sabatier analysis, we predict that Pt is the most active monometallic catalyst followed by Ir and Cu, whereas all other metal surfaces studied here have significantly lower activity. We conclude by outlining some design principles for bimetallic alloy catalysts for NH3 electro-oxidation.
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