title: Effects of Charge Transfer on the Adsorption of CO on Small Molybdenum-Doped Platinum Clusters.
abstract: The interaction of carbon monoxide with platinum alloy nanoparticles is an important problem in the context of fuel cell catalysis. In this work, molybdenum-doped platinum clusters have been studied in the gas phase to obtain a better understanding of the fundamental nature of the Pt-CO interaction in the presence of a dopant atom. For this purpose, Ptn+and MoPtn-1+(n=3-7) clusters were studied by combined mass spectrometry and density functional theory calculations, making it possible to investigate the effects of molybdenum doping on the reactivity of platinum clusters with CO. In addition, IR photodissociation spectroscopy was used to measure the stretching frequency of CO molecules adsorbed on Ptn+and MoPtn-1+(n=3-14), allowing an investigation of dopant-induced charge redistribution within the clusters. This electronic charge transfer is correlated with the observed changes in reactivity.
authors.affiliation: Laboratory of Solid State Physics and Magnetism, KU Leuven, Celestijnenlaan 200D, 3001, Leuven, Belgium.
authors.forename: Piero
authors.initials: P
authors.lastname: Ferrari
authors.affiliation: Laboratory of Solid State Physics and Magnetism, KU Leuven, Celestijnenlaan 200D, 3001, Leuven, Belgium.
authors.forename: Jan
authors.initials: J
authors.lastname: Vanbuel
authors.affiliation: Computational Chemistry Research Group & Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam.
authors.forename: Nguyen Minh
authors.initials: NM
authors.lastname: Tam
authors.affiliation: Department of Chemistry, KU Leuven, Celestijnenlaan 200F, 3001, Leuven, Belgium.
authors.forename: Minh Tho
authors.identifier: http://orcid.org/0000-0002-3803-0569
authors.initials: MT
authors.lastname: Nguyen
authors.affiliation: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany.
authors.forename: Sandy
authors.initials: S
authors.lastname: Gewinner
authors.affiliation: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany.
authors.forename: Wieland
authors.identifier: http://orcid.org/0000-0003-0564-203X
authors.initials: W
authors.lastname: Schöllkopf
authors.affiliation: Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstrasse 36, 10623, Berlin, Germany.
authors.forename: André
authors.identifier: http://orcid.org/0000-0003-0400-0932
authors.initials: A
authors.lastname: Fielicke
authors.affiliation: Laboratory of Solid State Physics and Magnetism, KU Leuven, Celestijnenlaan 200D, 3001, Leuven, Belgium.
authors.forename: Ewald
authors.identifier: http://orcid.org/0000-0002-5945-1194
authors.initials: E
authors.lastname: Janssens
keywords: IR spectroscopy; carbon monoxide; charge transfer; doping; molybdenum; platinum