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Cu(sub n) (n = 1-5) clusters on nonbridging oxygen defects

Article Abstract:

Ab initio quantum chemical chemical calculations using cluster models were used in studying the nucleation of small Cu clusters at the surface of SiO2. A series of small Cu units were adsorbed on the nonbridging oxygen (NBO) center from the monomer to the pentamer. A cluster model derived from alpha-quartz is used in examining the NBO center. Results indicated that strong metal-oxide interface bonds are formed at the NBO centers. The Cu clusters are bound with one or two cu atoms with the NBO forming covalent polar bonds.

Analysis, Copper, Nucleation, Nucleation (Chemistry), Silicon compounds, Electrophoretic deposition

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Electronic effects of the activation of supported metal clusters: density functional theory study of H2 dissociation on Cu/SiO2

Article Abstract:

The key difference between isolated Cu clusters or the Cu(III) surface and the supported units is that, although no evidence of the dissociative adsorption has been identified on the formers, the supported Cu clusters effectively spark off the H2 dissociation.

Metal catalysts, Dissociation, Dissociation reactions

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Mechanisms of proton formation from interaction of H2 with E' and oxygen vacancy centers in SiO2: cluster model calculations

Article Abstract:

Research designed to identify the role played by the E' centre and by the neutral oxygen vacancy in forming and stabilizing protons in silica is presented. It was established that the E' centre is an active site for hydrogen cracking and proton generation.

Protons

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