RT info:eu-repo/semantics/article
T1 Controlling the Adsorption of Carbon Monoxide on Platinum Clusters by Dopant-Induced Electronic Structure Modification
A1 Ferrari, Piero
A1 Molina Martín, Luis Miguel
A1 Kaydashev, Vladimir E.
A1 Alonso Martín, Julio Alfonso
A1 Lievens, Peter
A1 Janssens, Ewald
K1 Carbono
AB A major drawback of state-of-the-art proton exchange membrane fuel cells is the CO poisoning of platinum catalysts. It is known that CO poisoning is reduced if platinum alloys are used, but the underlying mechanism therefore is still under debate. We studythe influence of dopant atoms on the CO adsorption on small platinum clusters using mass spectrometry experiments and density functional theory calculations. A significant reduction in the reactivity for Nb and Mo doped clusters is attributed to electron transfer from those highly coordinated dopants to the Pt atoms and the concomitant lower CO binding energies. On the other hand Sn and Ag dopants have a lower Pt coordination and have a limited effect on the CO adsorption. Analysis of the density of states demonstrates a correlation of dopant induced changes in the electronic structure with the enhanced tolerance to CO poisoning.
PB Wiley
SN 11059-11063
YR 2016
FD 2016
LK http://uvadoc.uva.es/handle/10324/21487
UL http://uvadoc.uva.es/handle/10324/21487
LA eng
NO Angewandte Chemie. International Edition, 2016, Vol. 55, p. 11059-11063
NO Producción Científica
DS UVaDOC
RD 01-may-2024