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Role of Deprotonation and Cu Adatom Migration in Determining the Reaction Pathways of Oxalic Acid Adsorption on Cu(111)

Faraggi, M. N.; Rogero, C.; Arnau, A.; Trelka, M.; Ecija, D.; Isvoranu, Cristina LU ; Schnadt, Joachim LU ; Marti-Gastaldo, C.; Coronado, E. and Gallego, J. M., et al. (2011) In Journal of Physical Chemistry C 115(43). p.21177-21182
Abstract
Scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and first principles theoretical calculations have been used to gain insight into the fundamental processes involved in the adsorption and self-assembly of oxalic acid on Cu(111). The experimental data demonstrate that several reaction pathways are involved in the chemisorption of oxalic acid on Cu(111), one of which leads to deprotonation of the acid into oxalate molecules that form ordered structures on the surface. Theoretical calculations indicate that the adsorption of oxalate molecules is not stable on the surface unless copper adatoms are taken into consideration. Coordination with copper adatoms prevents oxalate molecules from getting closer to the... (More)
Scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and first principles theoretical calculations have been used to gain insight into the fundamental processes involved in the adsorption and self-assembly of oxalic acid on Cu(111). The experimental data demonstrate that several reaction pathways are involved in the chemisorption of oxalic acid on Cu(111), one of which leads to deprotonation of the acid into oxalate molecules that form ordered structures on the surface. Theoretical calculations indicate that the adsorption of oxalate molecules is not stable on the surface unless copper adatoms are taken into consideration. Coordination with copper adatoms prevents oxalate molecules from getting closer to the substrate, precluding the expected decomposition of oxalate into carbon dioxide. Our results, thus, suggest that the 2D gas of diffusing copper adatoms might play a very important role in the self-assembly of the molecules not only by catalyzing the deprotonation of oxalic acid but also by decreasing the surface reactivity. (Less)
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Contribution to journal
publication status
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in
Journal of Physical Chemistry C
volume
115
issue
43
pages
21177 - 21182
publisher
The American Chemical Society
external identifiers
  • wos:000296172800046
  • scopus:80055059796
ISSN
1932-7447
DOI
10.1021/jp205779g
language
English
LU publication?
yes
id
be979d41-147c-49c5-a677-5de432550940 (old id 2208288)
date added to LUP
2011-11-25 14:12:56
date last changed
2017-01-01 03:55:36
@article{be979d41-147c-49c5-a677-5de432550940,
  abstract     = {Scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and first principles theoretical calculations have been used to gain insight into the fundamental processes involved in the adsorption and self-assembly of oxalic acid on Cu(111). The experimental data demonstrate that several reaction pathways are involved in the chemisorption of oxalic acid on Cu(111), one of which leads to deprotonation of the acid into oxalate molecules that form ordered structures on the surface. Theoretical calculations indicate that the adsorption of oxalate molecules is not stable on the surface unless copper adatoms are taken into consideration. Coordination with copper adatoms prevents oxalate molecules from getting closer to the substrate, precluding the expected decomposition of oxalate into carbon dioxide. Our results, thus, suggest that the 2D gas of diffusing copper adatoms might play a very important role in the self-assembly of the molecules not only by catalyzing the deprotonation of oxalic acid but also by decreasing the surface reactivity.},
  author       = {Faraggi, M. N. and Rogero, C. and Arnau, A. and Trelka, M. and Ecija, D. and Isvoranu, Cristina and Schnadt, Joachim and Marti-Gastaldo, C. and Coronado, E. and Gallego, J. M. and Otero, R. and Miranda, R.},
  issn         = {1932-7447},
  language     = {eng},
  number       = {43},
  pages        = {21177--21182},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {Role of Deprotonation and Cu Adatom Migration in Determining the Reaction Pathways of Oxalic Acid Adsorption on Cu(111)},
  url          = {http://dx.doi.org/10.1021/jp205779g},
  volume       = {115},
  year         = {2011},
}