Acetylene decomposition on Rh(100): theory and experiment. |
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Authors: | Davy L S Nieskens Francisco Ample-Navarro Maarten M M Jansen Daniel Curulla-Ferré Josep Ricart Hans Niemantsverdriet |
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Affiliation: | Schuit Institute of Catalysis, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands. davy.nieskens@gmail.com |
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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. |
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Keywords: | adsorption density functional calculations electron diffraction rhodium mass spectrometry |
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