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Acetylene Decomposition on Rh(100): Theory and Experiment
Author(s) -
L. S. Nieskens Davy,
AmpleNavarro Francisco,
Jansen Maarten M. M.,
CurullaFerré Daniel,
Ricart Josep,
Niemantsverdriet Hans
Publication year - 2006
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200500566
Subject(s) - acetylene , chemistry , density functional theory , decomposition , desorption , mass spectrometry , hydrogen , chemical process of decomposition , analytical chemistry (journal) , carbon fibers , computational chemistry , materials science , adsorption , organic chemistry , chromatography , composite number , composite material
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.