Cyanide-modified Pt(111)

structure, stability and hydrogen adsorption

Maria Escudero-Escribano, German J. Soldano, Paola Quaino, Martin E. Zoloff Michoff, Ezequiel P. M. Leiva, Wolfgang Schmickler, Angel Cuesta

Research output: Contribution to journalArticle

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Abstract

Cyanide-modified Pt(1 1 1) surfaces have been recently used to study atomic-ensemble effects in electrocatalysis. These studies have been based on the assumption that cyanide acts as a third body, blocking some surface sites but leaving the electronic properties of the surrounding ones unaltered, although this is in apparent contradiction with the observation of a positive shift of 0.2 V in the onset of hydrogen adsorption on cyanide-modified Pt(1 1 1) electrodes, as compared with clean Pt(1 1 1). We have performed theoretical calculations in order to provide support to this assumption and explain the positive shift in the onset of hydrogen adsorption, which is shown to be due to the formation of CNHad.
Original languageEnglish
Pages (from-to)524-533
Number of pages10
JournalElectrochimica Acta
Volume82
Early online date28 Feb 2012
DOIs
Publication statusPublished - 1 Nov 2012

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Cyanides
Hydrogen
Adsorption
Electrocatalysis
Electronic properties
Electrodes

Keywords

  • cyanide-modified Pt(1 1 1)
  • DFT
  • hydrogen adsorption

Cite this

Escudero-Escribano, M., Soldano, G. J., Quaino, P., Zoloff Michoff, M. E., Leiva, E. P. M., Schmickler, W., & Cuesta, A. (2012). Cyanide-modified Pt(111): structure, stability and hydrogen adsorption. Electrochimica Acta, 82, 524-533. https://doi.org/10.1016/j.electacta.2012.02.062

Cyanide-modified Pt(111) : structure, stability and hydrogen adsorption. / Escudero-Escribano, Maria; Soldano, German J.; Quaino, Paola; Zoloff Michoff, Martin E.; Leiva, Ezequiel P. M.; Schmickler, Wolfgang; Cuesta, Angel.

In: Electrochimica Acta, Vol. 82, 01.11.2012, p. 524-533.

Research output: Contribution to journalArticle

Escudero-Escribano, M, Soldano, GJ, Quaino, P, Zoloff Michoff, ME, Leiva, EPM, Schmickler, W & Cuesta, A 2012, 'Cyanide-modified Pt(111): structure, stability and hydrogen adsorption', Electrochimica Acta, vol. 82, pp. 524-533. https://doi.org/10.1016/j.electacta.2012.02.062
Escudero-Escribano M, Soldano GJ, Quaino P, Zoloff Michoff ME, Leiva EPM, Schmickler W et al. Cyanide-modified Pt(111): structure, stability and hydrogen adsorption. Electrochimica Acta. 2012 Nov 1;82:524-533. https://doi.org/10.1016/j.electacta.2012.02.062
Escudero-Escribano, Maria ; Soldano, German J. ; Quaino, Paola ; Zoloff Michoff, Martin E. ; Leiva, Ezequiel P. M. ; Schmickler, Wolfgang ; Cuesta, Angel. / Cyanide-modified Pt(111) : structure, stability and hydrogen adsorption. In: Electrochimica Acta. 2012 ; Vol. 82. pp. 524-533.
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abstract = "Cyanide-modified Pt(1 1 1) surfaces have been recently used to study atomic-ensemble effects in electrocatalysis. These studies have been based on the assumption that cyanide acts as a third body, blocking some surface sites but leaving the electronic properties of the surrounding ones unaltered, although this is in apparent contradiction with the observation of a positive shift of 0.2 V in the onset of hydrogen adsorption on cyanide-modified Pt(1 1 1) electrodes, as compared with clean Pt(1 1 1). We have performed theoretical calculations in order to provide support to this assumption and explain the positive shift in the onset of hydrogen adsorption, which is shown to be due to the formation of CNHad.",
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note = "A.C. acknowledges the support of the DGI (Spanish Ministry of Science and Innovation) through Project CTQ2009-07017. W.S. acknowledges financial support by the Deutsche Forschungsgemeinschaft under Schm 344/40-1, Schm 344/34-1.2 and FOR 1376. W.S. and P.Q. thank DFG-CONICET International Cooperation and CONICET for continued support. E.P.M.L. and M.Z.-M. wish to acknowledge CONICET PIP: 112-200801-000983, Secyt UNC, Program BID (PICT 2006N 946), and PME: 2006-01581 for financial support. P.Q. acknowledges PICT 0737-2008. A generous grant of computing time from the Baden-Wuerttemberg grid is gratefully acknowledged. M.E.-E. acknowledges an FPI fellowship from the Spanish Ministry of Science and Innovation and an accommodation grant at the Residencia de Estudiantes from the Madrid City Council.",
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