Premium
Exploring Scaling Relations for Chemisorption Energies on Transition‐Metal‐Exchanged Zeolites ZSM‐22 and ZSM‐5
Author(s) -
Siahrostami Samira,
Falsig Hanne,
Beato Pablo,
Moses Poul Georg,
Nørskov Jens K.,
Studt Felix
Publication year - 2016
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201501049
Subject(s) - chemisorption , transition metal , chemistry , adsorption , zsm 5 , copper , catalysis , inorganic chemistry , oxygen , metal , molecular sieve , organic chemistry
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 similar to those of the most selective catalysts for oxidation reactions, that is, Ag and Au surfaces. The chemisorption energies of oxygen, carbon‐, and nitrogen‐containing species on different transition metals exchanged in ZSM‐22 are also investigated. The study covers three different oxidation states, that is, 1+, 2+, and 3+ for the transition‐metal exchanges. Scaling relations are presented for the corresponding species. Chemisorption of O scales with chemisorption of OH for all three considered exchanges, whereas there are essentially rough correlations for NH 2 and N as well as CH 3 and C.