How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals1. Issue 49 (7th October 2014)

• Record Type: Journal Article
• Authors: Aleksandrov, Hristiyan A.; Kozlov, Sergey M.; Schauermann, Swetlana; Vayssilov, Georgi N.; Neyman, Konstantin M.
• Is Part Of: Angewandte Chemie international edition. Volume 53:Issue 49(2014)
• Page Start: 13371
• Page End: 13375
• Publication Date: 2014-10-07
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201405738
• Languages: English
• ISSNs: 1433-7851

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>Heterogeneous catalysis is commonly governed by surface active sites. Yet, areas just below the surface can also influence catalytic activity, for instance, when fragmentation products of catalytic feeds penetrate into catalysts. In particular, H absorbed below the surface is required for certain hydrogenation reactions on metals. Herein, we show that a sufficient concentration of subsurface hydrogen, H^sub, may either significantly increase or decrease the bond energy and the reactivity of the adsorbed hydrogen, H^ad, depending on the metal. We predict a representative reaction, ethyl hydrogenation, to speed up on Pd and Pt, but to slow down on Ni and Rh in the presence of H^sub, especially on metal nanoparticles. The identified effects of subsurface H on surface reactivity are indispensable for an atomistic understanding of hydrogenation processes on transition metals and interactions of hydrogen with metals in general.</p> </abstract>