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Acetylene decomposition on Rh(100): theory and experiment.
Authors:Davy L S Nieskens  Francisco Ample-Navarro  Maarten M M Jansen  Daniel Curulla-Ferré  Josep Ricart  Hans Niemantsverdriet
Affiliation:Schuit Institute of Catalysis, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands. davy.nieskens@gmail.com
Abstract:The decomposition of acetylene on a Rh(100) single crystal was studied by a combination of experimental techniques [static secondary ion mass spectrometry (SSIMS), temperature-programmed desorption (TPD), and low-energy electron diffraction (LEED)] to gain insight into the reaction pathway and the nature of the reaction intermediates. The experimental techniques were combined with a computational approach using density functional theory (DFT). Acetylene adsorbs irreversibly on the Rh(100) surface and eventually decomposes to atomic carbon and gas-phase hydrogen. The combination of experimental and computational results enabled us to determine the most likely reaction pathway for the decomposition process.
Keywords:adsorption  density functional calculations  electron diffraction  rhodium  mass spectrometry
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