Hokkaido University Collection of Scholarly and Academic Papers >
Institute for Catalysis >
Peer-reviewed Journal Articles, etc >
Interplay of First-Order Kinetic and Thermodynamic Phase Transitions in Heterogeneous Catalytic Reactions
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
|