Step enhanced dehydrogenation of ethanol on Rh

Resta, AndreaLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH (author)

We have investigated the adsorption and decomposition of ethanol on the Rh(111) and Rh(5 5 3) surfaces at room temperature with special emphasis on the dehydrogenation. We use high resolution Core level photoemission and density functional theory (DFT) based simulations. A detailed analysis of the C1s core level spectra, including analysis of the vibrational fine-structure and comparison to calculated C1s binding energy shifts, shows that the ethanol decomposes into CO, ethylidyne (C2H3) methylidyne (CH), atomic C, and hydrogen. At low ethanol exposures, CH is the dominating hydrocarbon fragment on Rh(111), whereas on Rh(553) atomic C dominates over CH, indicating an enhanced dehydrogenation due to the steps present on the latter surface. At higher ethanol exposures we find a similar behavior of atomic C dominating over hydrocarbons on Rh(553), while on Rh(111) atomic carbon remains a minority species. Our DFT based simulations show that the enhanced dehydrogenation results from a significant lowering of the CH dissociation barrier from Rh(111) to Rh(553), as well as from the dissociation changing from endothermic on Rh(111) to exothermic on Rh(553). (C) 2008 Elsevier B.V. All rights reserved.

NATURVETENSKAP Fysik Atom- och molekylfysik och optik hsv//swe
NATURAL SCIENCES Physical Sciences Atom and Molecular Physics and Optics hsv//eng
spectroscopy
synchrotron radiation photoelectron
photoelectron spectroscopy
Density functional calculations
soft X-ray
Photoelectron spectroscopy
Surface chemical reaction
Catalysis
Chemisorption
Rh
H
CO
C
ethylidyne
methylidyne
ethanol

Gustafson, JohanLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-jgu (author)
Westerström, RasmusLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)ra6430we (author)
Mikkelsen, AndersLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-ami (author)
Lundgren, EdvinLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-elu (author)
Andersen, Jesper NLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-jan (author)
Yang, Ming-Mei (author)
Ma, Xiu-Fang (author)
Bao, Xin-He (author)
Li, Wei-Xue (author)
SynkrotronljusfysikFysiska institutionen (creator_code:org_t)

By the author/editor: Resta, Andrea; Gustafson, Johan; Westerström, Ras ...; Mikkelsen, Ander ...; Lundgren, Edvin; Andersen, Jesper ...; show more...; Yang, Ming-Mei; Ma, Xiu-Fang; Bao, Xin-He; Li, Wei-Xue; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Atom and Molecul ...

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