TY - JOUR

T1 - Cyanide-modified Pt(111)

T2 - Structure, stability and hydrogen adsorption

AU - Escudero-Escribano, Maria

AU - Soldano, German J.

AU - Quaino, Paola

AU - Zoloff Michoff, Martin E.

AU - Leiva, Ezequiel P. M.

AU - Schmickler, Wolfgang

AU - Cuesta, Angel

PY - 2012

Y1 - 2012

N2 - 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.

AB - 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.

U2 - 10.1016/j.electacta.2012.02.062

DO - 10.1016/j.electacta.2012.02.062

M3 - Journal article

VL - 82

SP - 524

EP - 533

JO - Electrochimica Acta

JF - Electrochimica Acta

SN - 0013-4686

ER -