Exploring Scaling Relations for Chemisorption Energies on Transition-Metal-Exchanged Zeolites ZSM-22 and ZSM-5

Copper exchange on all the different T sites of ZSM‐22 and ZSM‐5 is considered and the chemisorption energies of dioxygen, OH, and O species are studied. We show that for different T sites the adsorption energies vary significantly. The oxygen adsorption energy on copper‐exchanged zeolites is quite...

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Veröffentlicht in:	ChemCatChem 2016-02, Vol.8 (4), p.767-772
Hauptverfasser:	Siahrostami, Samira, Falsig, Hanne, Beato, Pablo, Moses, Poul Georg, Nørskov, Jens K., Studt, Felix
Format:	Artikel
Sprache:	eng
Schlagworte:	chemisorption copper density functional calculations INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY oxygen Zeolites
Online-Zugang:	Volltext
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