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

Zhdanov, Vladimir P.; Matsushima, Tatsuo

Physical Review Letters, 2007, 98(3), 036101

Permalink : https://hdl.handle.net/2115/18845

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アクセス権	open access
URI	https://hdl.handle.net/2115/18845
タイトル	Interplay of First-Order Kinetic and Thermodynamic Phase Transitions in Heterogeneous Catalytic Reactions
著者	著者名 Zhdanov, Vladimir P.
著者	e-Rad_Researcher 30002116 著者名 Matsushima, Tatsuo
言語	英語
発行日	2007-01-19
出版者	American Physical Society
収録物名	Physical Review Letters
巻(号)	98(3)
ページ	036101
抄録	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.
資源タイプ	学術雑誌論文
出版タイプ	Version of Record
権利情報	Copyright © 2007 American Physical Society
PISSN	0031-9007
EISSN	1079-7114
関連情報	PMID 17358696
関連情報	URI http://www.aps.org/
関連情報 (isIdenticalTo)	出版社版DOI https://doi.org/10.1103/PhysRevLett.98.036101