Structural and Composition Evolution of Palladium Catalyst for CO Oxidation under Steady-State Reaction Conditions

Understanding how the composition and structure of heterogeneous catalysts change during in situ reaction is of critical importance but greatly challenging because of the complexity of multiple time–space scale. Herein, we propose a self-adaptive simulation strategy driven by the first-principles mi...

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Veröffentlicht in:	Journal of physical chemistry. C 2023-04, Vol.127 (13), p.6262-6270
Hauptverfasser:	Wu, Jiawei, Chen, Dingming, Chen, Jianfu, Wang, Haifeng
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Chemical and Catalytic Reactivity at Interfaces
Online-Zugang:	Volltext
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