Journal ArticleDOI
Structure and Reactivity of Ni−Au Nanoparticle Catalysts
TLDR
In this paper, the Ni−Au nanoparticle catalyst system is designed based on the detailed experimental and theoretical understanding of the alloying and the chemical reaction processes on single-crystal surfaces.Abstract:
We discuss the design of a Ni−Au nanoparticle catalyst system, which is based on the detailed experimental and theoretical understanding of the alloying and the chemical reaction processes on single-crystal surfaces. The alloy formation and structure of Ni−Au catalysts supported on SiO2 and on MgAl2O4 are simulated by Monte Carlo schemes as well as experimentally studied by a combination of in situ X-ray absorption fine structure, transmission electron microscopy, and in situ X-ray powder diffraction. On-line mass spectrometry is used to follow the reactivity of the catalyst and thermogravimetric analysis provided information on the deposition rate of carbon during steam reforming of n-butane. The simulations and the experiments give evidence for the formation of a Ni−Au surface alloy on the Ni particles for both supports. The Ni−Au catalysts exhibiting the surface alloy are active for steam reforming and are more resistant toward carbon formation than the pure Ni catalyst. Blocking of highly reactive Ni ...read more
Citations
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Journal ArticleDOI
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
TL;DR: Nanoalloys of Group 11 (Cu, Ag, Au) 865 5.1.5.2.
Journal ArticleDOI
Steam Reforming and Graphite Formation on Ni Catalysts
Hanne Skov Bengaard,Jens K. Nørskov,Jens Sehested,Clausen Bjerne Steffen,L.P. Nielsen,A.M. Molenbroek,Jens R. Rostrup-Nielsen +6 more
TL;DR: Based on density functional theory calculations, kinetic measurements, microkinetic and Monte Carlo simulations, thermogravimetric analysis (TGA) experiments, extended X-ray absorption spectroscopy (EXAFS) measurements, and experimental results from the literature, this paper presented a detailed and comprehensive mechanistic picture of the steam reforming process on a Ni catalyst.
Journal ArticleDOI
Synthesis and catalytic properties of metal nanoparticles: Size, shape, support, composition, and oxidation state effects
TL;DR: In this paper, the authors examine the role played by the particle structure and morphology (size and shape), its chemical composition and oxidation state, and the effect of the cluster support.
Journal ArticleDOI
Platinum Monolayer on Nonnoble Metal−Noble Metal Core−Shell Nanoparticle Electrocatalysts for O2 Reduction
Junliang Zhang,Fabio Henrique Barros de Lima,Minhua Shao,Kotaro Sasaki,Jia X. Wang,Jonathan C. Hanson,Radoslav R. Adzic +6 more
TL;DR: The results demonstrated that high-activity electrocatalysts can be devised that contain only a fractional amount of Pt and a very small amount of another noble metal.
Journal ArticleDOI
Ni-based bimetallic heterogeneous catalysts for energy and environmental applications
TL;DR: A detailed overview of the development of nickel-based bimetallic catalysts for energy and environmental applications is provided in this article, where a detailed account is provided on the utilization of these systems in the catalytic reactions related to energy production and environmental remediation.
References
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Journal ArticleDOI
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure
TL;DR: In this paper, a selfconsistent real-space multiple-scattering (RSMS) approach for calculations of x-ray-absorption near-edge structure (XANES) is presented and implemented in an ab initio code applicable to arbitrary aperiodic or periodic systems.
Journal ArticleDOI
Theoretical X-ray Absorption Fine Structure Standards
John J. Rehr,John J. Rehr,J. Mustre de Leon,S. I. Zabinsky,S. I. Zabinsky,R. C. Albers,R. C. Albers +6 more
Journal ArticleDOI
Design of a Surface Alloy Catalyst for Steam Reforming
Flemming Besenbacher,Ib Chorkendorff,Clausen Bjerne Steffen,Bjørk Hammer,A.M. Molenbroek,Jens K. Nørskov,Ivan Stensgaard +6 more
TL;DR: Insight into the structure of surface alloys combined with an understanding of the relation between the surface composition and reactivity is shown to lead directly to new ideas for catalyst design.
Journal ArticleDOI
Surface segregation energies in transition-metal alloys
TL;DR: In this article, a database of surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction to the electrostatic potential and energy is presented.
Journal ArticleDOI
Interatomic interactions in the effective-medium theory
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