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Interplay of First-Order Kinetic and Thermodynamic Phase Transitions in Heterogeneous Catalytic Reactions

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Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/18845

Title: Interplay of First-Order Kinetic and Thermodynamic Phase Transitions in Heterogeneous Catalytic Reactions
Authors: Zhdanov, Vladimir P. Browse this author
Matsushima, Tatsuo Browse this author →KAKEN DB
Issue Date: 19-Jan-2007
Publisher: American Physical Society
Journal Title: Physical Review Letters
Volume: 98
Issue: 3
Start Page: 036101
Publisher DOI: 10.1103/PhysRevLett.98.036101
PMID: 17358696
Abstract: Using the rate constants obtained on the basis of independent transient measurements and density functional theory calculations, we perform Monte Carlo (MC) simulations of the bistable kinetics of the N2O-CO reaction on Pd(110) at 450 K. In the absence of lateral interactions, the MC technique predicts a wide hysteresis loop in perfect agreement with the mean-field analysis. With attractive substrate-mediated lateral interactions resulting in the formation of (1×2) O islands and reducing the reaction rate inside islands, the hysteresis is found to be dramatically (about 5 times) narrower. This finding explains why the first-order kinetic phase transition experimentally observed in this reaction is not accompanied by hysteresis.
Rights: Copyright © 2007 American Physical Society
Relation: http://www.aps.org/
Type: article
URI: http://hdl.handle.net/2115/18845
Appears in Collections:触媒科学研究所 (Institute for Catalysis) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 松島 龍夫

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