Journal ArticleDOI
Modelling surface phenomena in PdNi alloys
TLDR
In this article, Monte Carlo simulations with the embedded atom method (EAM) are set up to investigate the segregation at PdxNi100−x(1.0), (1.1), 0, 1, 0, 0 surfaces (1≤x≤50) as a function of temperature.About:
This article is published in Applied Surface Science.The article was published on 2003-05-15. It has received 34 citations till now. The article focuses on the topics: Surface energy.read more
Citations
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Journal ArticleDOI
Surface segregation in palladium based alloys from density-functional calculations
TL;DR: In this article, the surface segregation in Pd-based alloys has been investigated by density-functional band-structure calculations, and the results were in very good agreement with experimental data where available.
Journal ArticleDOI
Functional nanostructures from clusters
Alain Perez,Patrice Mélinon,Véronique Dupuis,L. Bardotti,Bruno Masenelli,Florent Tournus,B. Prével,J. Tuaillon-Combes,E. Bernstein,Alexandre Tamion,Nils Blanc,D. Tainoff,O. Boisron,G. Guiraud,Michel Broyer,Michel Pellarin,N. Del Fatti,Fabrice Vallée,E. Cottancin,Jean Lermé,J. L. Vialle,C. Bonnet,Paolo Maioli,Aurélien Crut,C. Clavier,Jean-Luc Rousset,F. Morfin +26 more
TL;DR: The Low Energy Cluster Beam Deposition (LECBD) method as discussed by the authors is a well-known technique for the formation of functional cluster-assembled nanostructures on the substrate.
Journal ArticleDOI
Hydrodechlorination of 1,2-dichloroethane on active carbon supported palladium–nickel catalysts
TL;DR: In this article, two series of 2-wt.% Pd-Ni/active carbon catalysts were characterized by hydrogen chemisorption, temperature programmed palladium hydride decomposition and X-ray diffraction, and investigated in the gas phase at a relatively low reaction temperature (210-230°C).
Journal ArticleDOI
Understanding the surface segregation behavior of transition metals on Ni(111): a first-principles study
TL;DR: The surface segregation behavior of solute atoms in alloying systems is investigated by performing first-principles calculations in the framework of density-functional theory with the generalized gradient approximation for the exchange-correlation functional and the calculated surface segregation energies are in good agreement with the experimental data.
Journal ArticleDOI
High catalytic stability of Pd-Ni/Y2O3 formed by interfacial Cl for oxy-CO2 reforming of CH4
TL;DR: In this paper, the effect of chloride in Pd precursors on catalyst activity and stability of Pd-Ni/Y2O3 catalyst was investigated for oxy-CO2 reforming of methane.
References
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Journal ArticleDOI
Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys.
TL;DR: A consistent set of embedding functions and pair interactions for use with the embedded-atom method was determined empirically by fitting to the sublimation energy, equilibrium lattice constant, elastic constants, and vacancy-formation energies of the pure metals and the heats of solution of the binary alloys as discussed by the authors.
Book
Selected values of the thermodynamic properties of binary alloys
TL;DR: A complete revision of the work, Selected Values of Thermodynamic Properties of Metals and Alloys, by Hultgren, Orr, Anderson, and Kelley, published in 1963 by John Wiley and Sons, New York, is presented in this paper.
Journal ArticleDOI
Binary alloy surface compositions from bulk alloy thermodynamic data
Frank L. Williams,D. Nason +1 more
TL;DR: In this paper, the surface composition of binary alloys is determined by minimizing alloy surface free energy with respect to atom exchange between the surface and the bulk, using a pairwise bound model of the solid with a broken bond surface.
Book
Surface Segregation phenomena
Allen Miller,Peter A. Dowben +1 more
TL;DR: In this paper, a compilation of Experimental Binary Alloy Surface Segregation Studies is presented, where the Embedded Atom Method is used to calculate the surface segregation of alloys using the embedded Atom Method.
Related Papers (5)
Theory of segregation using the equivalent-medium approximation and bond-strength modifications at surfaces: Application to fcc Pd-X alloys.
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more