title: Maximum noble-metal efficiency in catalytic materials: atomically dispersed surface platinum.
abstract: Platinum is the most versatile element in catalysis, but it is rare and its high price limits large-scale applications, for example in fuel-cell technology. Still, conventional catalysts use only a small fraction of the Pt content, that is, those atoms located at the catalyst's surface. To maximize the noble-metal efficiency, the precious metal should be atomically dispersed and exclusively located within the outermost surface layer of the material. Such atomically dispersed Pt surface species can indeed be prepared with exceptionally high stability. Using DFT calculations we identify a specific structural element, a ceria "nanopocket", which binds Pt(2+) so strongly that it withstands sintering and bulk diffusion. On model catalysts we experimentally confirm the theoretically predicted stability, and on real Pt-CeO2 nanocomposites showing high Pt efficiency in fuel-cell catalysis we also identify these anchoring sites.
authors.affiliation: Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona c/Martí i Franquès 1, 08028 Barcelona (Spain).
authors.forename: Albert
authors.initials: A
authors.lastname: Bruix
authors.forename: Yaroslava
authors.initials: Y
authors.lastname: Lykhach
authors.forename: Iva
authors.initials: I
authors.lastname: Matolínová
authors.forename: Armin
authors.initials: A
authors.lastname: Neitzel
authors.forename: Tomáš
authors.initials: T
authors.lastname: Skála
authors.forename: Nataliya
authors.initials: N
authors.lastname: Tsud
authors.forename: Mykhailo
authors.initials: M
authors.lastname: Vorokhta
authors.forename: Vitalii
authors.initials: V
authors.lastname: Stetsovych
authors.forename: Klára
authors.initials: K
authors.lastname: Ševčíková
authors.forename: Josef
authors.initials: J
authors.lastname: Mysliveček
authors.forename: Roman
authors.initials: R
authors.lastname: Fiala
authors.forename: Michal
authors.initials: M
authors.lastname: Václavů
authors.forename: Kevin C
authors.initials: KC
authors.lastname: Prince
authors.forename: Stéphanie
authors.initials: S
authors.lastname: Bruyère
authors.forename: Valérie
authors.initials: V
authors.lastname: Potin
authors.forename: Francesc
authors.initials: F
authors.lastname: Illas
authors.forename: Vladimír
authors.initials: V
authors.lastname: Matolín
authors.forename: Jörg
authors.initials: J
authors.lastname: Libuda
authors.forename: Konstantin M
authors.initials: KM
authors.lastname: Neyman
keywords: ceria nanoparticles; density functional calculations; heterogeneous catalysis; model catalyst; platinum