Ethylene adsorption and coadsorption with H and Pd(110) from first principles
Article Abstract:
The adsorption of ethylene on a Pd(110) surface and the coadsorption with hydrogen is investigated using gradient corrected periodic functional calculations. The comparison of the computed vibrational frequencies with the experimental results shows that, at low H coverage, the main site is still the bridge one, but that, at a higher coverage, the top site for ethylene becomes competitive.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Ethylene decomposition on Rh(100): Theory and experiment
Article Abstract:
The decomposition of ethylene on Rh(100) is investigated by static secondary ion mass spectroscopy (SSIMS), temperature-programmed desorption (TPD), low-energy loss spectroscopy (HREELS). Low-energy electron diffraction concluded that a saturation layer of ethylene orders in a p(2*2) structure, implying saturation coverage of 0.25 ML for the ethylene.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Substrate-dependent reaction pathways of ethylene on clean and carbide-modified W(110) and W(111)
Article Abstract:
A thermal desorption and vibrational spectra which monitors the decomposition of ethylene on clean and carbide-modified W(111) and W(110) is presented. The results show that clean W(111) is twice as active as W(110) towards the decomposition of ethylene.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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