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High-resolution electron spectroscopy of different adsorption states of ethylene on Pd(111)

Sock, M; Eichler, A; Surnev, S; Andersen, Jesper N LU ; Klotzer, B; Hayek, K; Ramsey, MG and Netzer, FP (2003) In Surface Science 545(1-2). p.122-136
Abstract
The adsorption of ethylene at 100 K on clean and oxygen precovered Pd(1 1 1) surfaces and the thermal evolution of the ethylene adsorbate layers have been investigated experimentally by high-resolution electron energy loss spectroscopy (HREELS), high-resolution X-ray photoelectron spectroscopy with synchrotron radiation, thermal desorption spectroscopy and theoretically by ab initio density functional theory (DFT) calculations. On the clean Pd(1 1 1) surface at 100 K ethylene is adsorbed in a di-sigma bonding state, whereas on the oxygen precovered Pd(1 1 1)2 x 2-O surface the pi-bonded configuration is more stable; this has been established both experimentally and theoretically. Upon adsorption at room temperature ethylidyne adspecies are... (More)
The adsorption of ethylene at 100 K on clean and oxygen precovered Pd(1 1 1) surfaces and the thermal evolution of the ethylene adsorbate layers have been investigated experimentally by high-resolution electron energy loss spectroscopy (HREELS), high-resolution X-ray photoelectron spectroscopy with synchrotron radiation, thermal desorption spectroscopy and theoretically by ab initio density functional theory (DFT) calculations. On the clean Pd(1 1 1) surface at 100 K ethylene is adsorbed in a di-sigma bonding state, whereas on the oxygen precovered Pd(1 1 1)2 x 2-O surface the pi-bonded configuration is more stable; this has been established both experimentally and theoretically. Upon adsorption at room temperature ethylidyne adspecies are formed on both surfaces, but neither di-sigma nor pi-bonded ethylene transform into ethylidyne on heating from low temperature up to 450 K. Complete molecular desorption of ethylene is observed in both cases, with no signs of dehydrogenation. The spectroscopic data recorded during the thermal evolution of the low temperature adsorbate phase have been analysed with the help of DFT and indicate that pi-bonded ethylene adsorption states may become populated upon heating the low temperature adlayer to 350 K. (C) 2003 Elsevier B.V. All rights reserved. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
electron energy loss spectroscopy (EELS), photoelectron spectroscopy, palladium, adsorption kinetics, alkenes, thermal desorption spectroscopy, calculations, density functional
in
Surface Science
volume
545
issue
1-2
pages
122 - 136
publisher
Elsevier
external identifiers
  • wos:000186245700018
  • scopus:0142011649
ISSN
0039-6028
DOI
10.1016/j.susc.2003.09.002
language
English
LU publication?
yes
id
4c9ed696-7e95-4571-b73e-29aa788cd870 (old id 296641)
date added to LUP
2007-09-22 11:20:02
date last changed
2017-01-01 07:22:44
@article{4c9ed696-7e95-4571-b73e-29aa788cd870,
  abstract     = {The adsorption of ethylene at 100 K on clean and oxygen precovered Pd(1 1 1) surfaces and the thermal evolution of the ethylene adsorbate layers have been investigated experimentally by high-resolution electron energy loss spectroscopy (HREELS), high-resolution X-ray photoelectron spectroscopy with synchrotron radiation, thermal desorption spectroscopy and theoretically by ab initio density functional theory (DFT) calculations. On the clean Pd(1 1 1) surface at 100 K ethylene is adsorbed in a di-sigma bonding state, whereas on the oxygen precovered Pd(1 1 1)2 x 2-O surface the pi-bonded configuration is more stable; this has been established both experimentally and theoretically. Upon adsorption at room temperature ethylidyne adspecies are formed on both surfaces, but neither di-sigma nor pi-bonded ethylene transform into ethylidyne on heating from low temperature up to 450 K. Complete molecular desorption of ethylene is observed in both cases, with no signs of dehydrogenation. The spectroscopic data recorded during the thermal evolution of the low temperature adsorbate phase have been analysed with the help of DFT and indicate that pi-bonded ethylene adsorption states may become populated upon heating the low temperature adlayer to 350 K. (C) 2003 Elsevier B.V. All rights reserved.},
  author       = {Sock, M and Eichler, A and Surnev, S and Andersen, Jesper N and Klotzer, B and Hayek, K and Ramsey, MG and Netzer, FP},
  issn         = {0039-6028},
  keyword      = {electron energy loss spectroscopy (EELS),photoelectron spectroscopy,palladium,adsorption kinetics,alkenes,thermal desorption spectroscopy,calculations,density functional},
  language     = {eng},
  number       = {1-2},
  pages        = {122--136},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {High-resolution electron spectroscopy of different adsorption states of ethylene on Pd(111)},
  url          = {http://dx.doi.org/10.1016/j.susc.2003.09.002},
  volume       = {545},
  year         = {2003},
}