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A Density Functional Theory Study of Self-Regenerating Catalysts LaFeMO (M = Pd, Rh, Pt).

Periodic density functional theory was used to investigate the stability and electronic structures of precious-metal atoms in the vicinity of LaFeMxO (M = Pd, Rh, Pt) perovskite catalyst surfaces. It was found that the surface segregation of Pd and Pt is significantly stabilized by the introduction...

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Published in:Journal of the American Chemical Society Vol. 133; no. 46; pp. 18506 - 18510
Main Authors: Hamada, Ikutaro, Uozumi, Akifumi, Morikawa, Yoshitada, Yanase, Akira, Katayama-Yoshida, Hiroshi
Format: Article
Published: American Chemical Society 11/23/2011
Subjects:
Electronic structure
Catalysts
Atoms
Metals
Perovskite
Metal clusters
Online Access:View this record in EBSCOhost