Search results for "Dissociation reaction"
showing 3 items of 3 documents
Bipolar membranes under forward and reverse bias conditions. Theory vs. experiment
1994
Abstract Bipolar membranes are layered structures composed of one cation-and one anion-exchange membrane joined together in series. The current—voltage curves of two recently developed bipolar membranes have been analysed theoretically and experimentally under both forward and reverse bias conditions. The experimental trends observed are high conductivity under forward bias conditions and high impedance first, and then electric field enhanced (EFE) water dissociation for high enough applied voltages, under reverse bias conditions. The forward bias measurements can contribute to a better knowledge of some of the transport parameters entering also in the reverse biased membrane. Comparison of…
Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals
2014
Abstract Both density functional theory calculations and numerous experimental studies demonstrate a variety of unique features in metal supported oxide films and transition metal doped simple oxides, which are markedly different from their unmodified counterparts. This review highlights, from the computational perspective, recent literature on the properties of the above mentioned surfaces and how they adsorb and activate different species, support metal aggregates, and even catalyse reactions. The adsorption of Au atoms and clusters on metal-supported MgO films are reviewed together with the cluster׳s theoretically predicted ability to activate and dissociate O 2 at the Au–MgO(100)/Ag(100…
Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters
2019
<p>Water dissociation is an important reaction involved in many industrial processes and a good model reaction for probing the activity of catalytic sites. In this computational study, the dissociation of water at interfacial sites of globally optimized ZrO2 sup- ported Pt and Rh clusters is investigated under the framework of density functional theory. Our findings demonstrate that the perimeter sites of these small clusters can activate water, but the dissociation behavior varies considerably between sites. It is shown that the studied clusters break scaling relationships for water dissociation, suggesting these catalysts may achieve activities beyond the maximum imposed by such rel…