Theoretical Studies of the Adsorption of CO and C on Ni(111) and Ni/CeO2(111): Evidence of a Strong Metal–Support Interaction

The catalytic CO methanation reaction on Ni/CeO2(111) systems is known to depend on Ni coverage: at medium and large coverages, Ni/CeO2(111) surfaces are able to catalyze methane production, whereas at small coverage they become efficient catalysts for the water–gas shift reaction. Electronic struct...

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Bibliographic Details
Published in:	Journal of physical chemistry. C 2013-04, Vol.117 (16), p.8241-8250
Main Authors:	Carrasco, Javier, Barrio, Laura, Liu, Ping, Rodriguez, José A, Ganduglia-Pirovano, M. Verónica
Format:	Article
Language:	English
Subjects:	Catalysis Catalysts: preparations and properties Catalytic methods Chemistry Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Exact sciences and technology General and physical chemistry Materials science Methods of nanofabrication Physics Solid surfaces and solid-solid interfaces Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry
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