A DFT Study of Ethylene Hydrogenation Reaction Mechanisms on Ni-13 Nanocluster
Küçük Resim Yok
Tarih
2013
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer/Plenum Publishers
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Metal nanoclusters can potentially exhibit high catalytic activity and selectivity due to not only a high number of exposed surface atoms but also active sites with different coordination numbers as compared to bulk catalyst surface. In this study ethylene hydrogenation was used as a model reaction in an effort to elaborate reactivity of small Ni nanoclusters and the ethylene hydrogenation reaction mechanism. Two mechanistic pathways; representing Eley-Rideal and Horiuti-Polanyi type of mechanism for ethylene hydrogenation reaction are studied. It has been concluded that Horiuti-Polanyi type is more favorable when compared to Eley-Rideal type.
Açıklama
15th Nordic Symposium on Catalysis, Mariehamn, land -- JUN 16-18, 2012 -- Mariehamn, FINLAND
FELLAH, Mehmet Ferdi/0000-0001-6314-3365
FELLAH, Mehmet Ferdi/0000-0001-6314-3365
Anahtar Kelimeler
Ni nanocluster, DFT, Ethylene hydrogenation mechanism, Activation barrier, Magic number
Kaynak
Topics In Catalysis
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
56
Sayı
9-10
