Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/53710
Title: Density-functional study of the oxygen reduction reaction on the graphene supported metal clusters
Authors: WU JIANG
Keywords: oxygen reduction, catalysis, DFT, hydrogen adsorption, water formation, oxygen adsorption
Issue Date: 15-Aug-2013
Source: WU JIANG (2013-08-15). Density-functional study of the oxygen reduction reaction on the graphene supported metal clusters. ScholarBank@NUS Repository.
Abstract: Transition Elements and their complexes have been used widely in many catalytic reactions. Their interactions with various substrates are of great current research interest in the pursuit of finding new synthetic materials for novel applications. The bulk properties of these materials and their interactions with substrates had been investigated extensively by both experiments and theoretical modelling. However, small clusters of these materials had not been investigated much, in spite of the vast difference of their physical and chemical properties from that of the bulk materials. In this work, the atomic scale properties of these transition metal nanoclusters have been investigated. In particular, their interactions with small molecules and ions, such as hydrogen, oxygen, hydroxide, peroxide, hydride and oxide, have been studies. Moreover, the effect of these interactions on the oxygen reduction reaction has been further investigated.
URI: http://scholarbank.nus.edu.sg/handle/10635/53710
Appears in Collections:Ph.D Theses (Open)

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