Water interaction with CeO2(1 1 1)/Cu(1 1 1) model catalyst surface

Matolín, Vladimı́r; Matolı́nová, Iva; Dvořák, Filip; Johánek, Viktor; Mysliveček, Josef; Prince, Kevin C.; Škála, Tomáš; Stetsovych, Oleksandr; Tsud, Nataliya; Václavů, Michal; Šmíd, Břetislav

doi:10.1016/j.cattod.2011.05.032

Cited by 93 publications

(128 citation statements)

References 30 publications

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“…The electronic structure of reduced ceria has received significant attention from experiments [10,17,18,[21][22][23][24][25][26][27]. The electronic structure of reduced ceria has received significant attention from experiments [10,17,18,[21][22][23][24][25][26][27].…”

Section: Introductionmentioning

confidence: 99%

Surface Effects in the Reactivity of Ceria

Nolan

2015

Catalysis by Materials With Well-Defined Structures

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Section: Introductionmentioning

confidence: 99%

Surface Effects in the Reactivity of Ceria

Nolan

2015

Catalysis by Materials With Well-Defined Structures

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“…101,141,142 DFT calculations were employed to investigate water dissociation at the ceria (111) surface 143 and at the ceria/liquid interface 144 as well as to elucidate the charge transfers between Pt particles and the ceria support resulting from water dissociation. The influence of the aqueous environment on the reaction mechanism, thermodynamics and kinetics was investigated by means of ab initio molecular dynamics (MD) simulations.…”

Section: Charge Transfer In Aqueous Environmentsmentioning

confidence: 99%

Oxide-based nanomaterials for fuel cell catalysis: the interplay between supported single Pt atoms and particles

Lykhach

Bruix

Fabris

et al. 2017

Catal. Sci. Technol.

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The concept of single atom catalysis offers maximum noble metal efficiency for the development of lowcost catalytic materials. Among possible applications are catalytic materials for proton exchange membrane fuel cells. In the present review, recent efforts towards the fabrication of single atom catalysts on nanostructured ceria and their reactivity are discussed in the prospect of their employment as anode catalysts.The remarkable performance and the durability of the ceria-based anode catalysts with ultra-low Pt loading result from the interplay between two states associated with supported atomically dispersed Pt and subnanometer Pt particles. The occurrence of these two states is a consequence of strong interactions between Pt and nanostructured ceria that yield atomically dispersed species under oxidizing conditions and sub-nanometer Pt particles under reducing conditions. The square-planar arrangement of four O atoms on {100} nanoterraces has been identified as the key structural element on the surface of the nanostructured ceria where Pt is anchored in the form of Pt 2+ species. The conversion of Pt 2+ species to subnanometer Pt particles is triggered by a redox process involving Ce 3+ centers. The latter emerge due to either oxygen vacancies or adsorption of reducing agents. The unique properties of the sub-nanometer Pt particles arise from metal-support interactions involving charge transfer, structural flexibility, and spillover phenomena. The abundance of specific adsorption sites similar to those on {100} nanoterraces determines the ideal (maximum) Pt loading in Pt-CeO x films that still allows reversible switching between the atomically dispersed Pt and sub-nanometer particles yielding high activity and durability during fuel cell operation.

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“…The intensity of the Ce 4f feature between 1 and 2 eV is a direct indication of the degree of reduction of the Ce . Although the Ce 4f feature is not as enhanced as when recorded under resonance conditions, the intensity is still significantly improved compared with spectra recorded below the Ce 4d (Ce N IV ) absorption edge . The initial surface (gray) has at most a few percent Ce 3+ .…”

Section: Resultsmentioning

confidence: 89%

Variations in the surface chemistry of methanol with CeO₂(100) at low and elevated pressures

Mullins

2017

Surface & Interface Analysis

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The reactions of methanol with and without O 2 were studied on a flat, highly crystalline CeO 2 (100) thin-film surface with ambient pressure XPS. In the absence of O 2 , the ambient pressure XPS results indicate that in both low-pressure (≤10 −5 Torr) and high-pressure regimes (≥10 −1 Torr), the dominant surface species is methoxy. Methanol decomposition substantially reduces the ceria and C X deposit build-up on the surface. When O 2 is present, C X does not accumulate on the surface and the dominant surface species is different in the low-pressure and highpressure regimes. Methoxy dominates at low pressure, while formate dominates at the higher pressure. The type of surface species appears to be related to the ability of O 2 to fully oxidize the ceria surface during the methanol reaction.

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Water interaction with CeO2(1 1 1)/Cu(1 1 1) model catalyst surface

Cited by 93 publications

References 30 publications

Surface Effects in the Reactivity of Ceria

Surface Effects in the Reactivity of Ceria

Oxide-based nanomaterials for fuel cell catalysis: the interplay between supported single Pt atoms and particles

Variations in the surface chemistry of methanol with CeO₂(100) at low and elevated pressures

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Water interaction with CeO2(1 1 1)/Cu(1 1 1) model catalyst surface

Cited by 93 publications

References 30 publications

Surface Effects in the Reactivity of Ceria

Surface Effects in the Reactivity of Ceria

Oxide-based nanomaterials for fuel cell catalysis: the interplay between supported single Pt atoms and particles

Variations in the surface chemistry of methanol with CeO2(100) at low and elevated pressures

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Product

Resources

About

Variations in the surface chemistry of methanol with CeO₂(100) at low and elevated pressures