An investigation of ethylene attachment to Si(111)-7 × 7 in the restatom-adatom bridging geometry: Electronic and vibrational properties

Z. Majzik, W. Kamiński, A. J. Weymouth, M. Vondráček, V. Zobač, M. Švec, A. Berkó, A. B. McLean, K. C. Prince, P. Jelínek, V. Cháb

Research output: Contribution to journalArticle

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Abstract

The adsorption of ethylene on the bridge adatom-restatom position of the Si(111)-7 × 7 surface was studied with scanning tunneling microscopy, photoelectron spectroscopy, and theoretical calculations. The electronic structure and the corresponding vibrational states were calculated for a single molecule adsorbed in different binding sites located within the 7 × 7 unit cell. We found that there is no significant difference in the electronic structure between the absorption sites that were considered: center and corner adatom-restatom. Moreover, the different electron occupation of the restatoms and adatoms has a strong effect on the electronic structure of the adsorbed molecule near the Fermi level, and this leads to the reduction of the molecular symmetry to Cs or even to C1. In the case of the Si 2p core level, beside the previously reported continuous quenching of the restatom state, we found clear evidence of the existence of a peak corresponding to the Si-C bond separated by 0.44 eV from the bulk component. Furthermore, for the vibrational analysis, isotopic substitution of C2H4 with C2D4, gave us more insight into the correct assignment of the modes in the experiment. Specifically, exceptional care must be taken with the allocation of the C-H wagging, twisting, and C-C stretching modes.

Original languageEnglish
Pages (from-to)21791-21799
Number of pages9
JournalJournal of Physical Chemistry C
Volume115
Issue number44
DOIs
Publication statusPublished - Nov 10 2011

Fingerprint

Adatoms
adatoms
Electronic structure
attachment
Ethylene
ethylene
electronic structure
Geometry
geometry
electronics
Molecules
Core levels
isotope ratios
twisting
Scanning tunneling microscopy
Binding sites
Photoelectron spectroscopy
Fermi level
vibrational states
occupation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

An investigation of ethylene attachment to Si(111)-7 × 7 in the restatom-adatom bridging geometry : Electronic and vibrational properties. / Majzik, Z.; Kamiński, W.; Weymouth, A. J.; Vondráček, M.; Zobač, V.; Švec, M.; Berkó, A.; McLean, A. B.; Prince, K. C.; Jelínek, P.; Cháb, V.

In: Journal of Physical Chemistry C, Vol. 115, No. 44, 10.11.2011, p. 21791-21799.

Research output: Contribution to journalArticle

Majzik, Z, Kamiński, W, Weymouth, AJ, Vondráček, M, Zobač, V, Švec, M, Berkó, A, McLean, AB, Prince, KC, Jelínek, P & Cháb, V 2011, 'An investigation of ethylene attachment to Si(111)-7 × 7 in the restatom-adatom bridging geometry: Electronic and vibrational properties', Journal of Physical Chemistry C, vol. 115, no. 44, pp. 21791-21799. https://doi.org/10.1021/jp206337w
Majzik, Z. ; Kamiński, W. ; Weymouth, A. J. ; Vondráček, M. ; Zobač, V. ; Švec, M. ; Berkó, A. ; McLean, A. B. ; Prince, K. C. ; Jelínek, P. ; Cháb, V. / An investigation of ethylene attachment to Si(111)-7 × 7 in the restatom-adatom bridging geometry : Electronic and vibrational properties. In: Journal of Physical Chemistry C. 2011 ; Vol. 115, No. 44. pp. 21791-21799.
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