ISSN:
1572-879X
Schlagwort(e):
Zeolitic catalysts
;
transition metal ions
;
nickel
;
computation
;
environment
;
EXAFS
;
modelling catalysts
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Computer modelling techniques are used to investigate the local structure of the zeolite framework around Ni2+ ions in the SI sites of Ni exchanged zeolite-Y. Our calculations show that there are pronounced inward relaxations (0.4 Å–0.6 Å) of the surrounding oxygen ions. The results allow a detailed rationalisation of recent EXAFS and diffraction studies on this zeolite.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00764116
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