Investigating Spillover Energy as a Descriptor for Single-Atom Alloy Catalyst Design

The identification of thermodynamic descriptors of catalytic performance is essential for the rational design of heterogeneous catalysts. Here, we investigate how spillover energy, a descriptor quantifying whether intermediates are more stable at the dopant or host metal sites, can be used to design...

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Veröffentlicht in:	The journal of physical chemistry letters 2023-11, Vol.14 (47), p.10561-10569
Hauptverfasser:	Hannagan, Ryan T., Lam, Ho Yi, Réocreux, Romain, Wang, Yicheng, Dunbar, Andrew, Lal, Vinita, Çınar, Volkan, Chen, Yunfan, Deshlahra, Prashant, Stamatakis, Michail, Eagan, Nathaniel M., Sykes, E. Charles H.
Format:	Artikel
Sprache:	eng
Schlagworte:	DFT heterogeneous catalysis INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY nanoparticle single-atom alloy spillover surface science
Online-Zugang:	Volltext
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