We present a detailed study of the catalytic activity of Au/Pd nanoalloys with Au : Pd molar ratio 75 : 25 synthesized using spherical polyelectrolyte brushes (SPB) as carrier system. The reduction of 4-nitrophenol (Nip) by sodium borohydride (BH4(-)) has been used as a model reaction. This reaction proceeds in two steps: 4-nitrophenol is first reduced to 4-hydroxylaminophenol which in a second...

Purpose A one-day conference organised by the University of Essex and Consortium Therapeutic Communities, 10 December, 2021 with theme, “The Unconscious Organisations”. Presentations discussions throughout had aim generating ideas sharing knowledge about unconscious how this can inform practitioners working in therapeutic communities other organisations meeting challenge emotional distress. Des...

In order to estimate the Arrhenius and Langmuir parameters of the selective oxidation of methyl (Yn-glucoside on a platinum catalyst, the temperature was varied from 293 to 333 K. The initial reaction kinetics can be described adequately over this temperature range by a Langmuir-Hinshelwood rate equation which is based on two parallel reaction paths: one involving adsorbed methyl cr-D-glucoside...

Carbon capture and utilisation is one of the most promising techniques to minimize the impact of the increasing amount of carbon dioxide in the atmosphere. Recently, the mineral greigite was shown to be capable of catalysing CO2 conversion, leading to useful small organic molecules. Here, we have carried out a systematic study of the adsorption and selective reduction of CO2 on the Fe3S4{111} s...

Hydroxyl and other oxygen-containing radicals are known to be present during the degradation of organic water pollutants in illuminated TiO2 photocatalyst slurries. It is proposed that the hydroxyl radical, OH., is the primary oxidant in the photocatalytic system. Four possible mechanisms are suggested, all based on OH. attack of the organic reactant. The cases of reaction on the surface, in th...

Density functional theory is used to determine the reaction mechanisms of CO oxidation and the active oxygen species on a Au/TiO2 model catalyst. The model consists of a Au rod supported along the TiO2 [11̅0] direction of the TiO2(110) surface. An interfacial Au/Ti5c site at the interface boundary is identified to be particularly active toward O2 adsorption and dissociation. At this site, O2 dis...

We reconsider H2 formation on grain surfaces. We develop a rate equation model which takes into account the presence of both physisorbed and chemisorbed sites on the surface, including quantum mechanical tunnelling and thermal diffusion. In this study, we took into consideration the uncertainties on the characteristics of graphitic surfaces. We calculate the H2 formation efficiency with the Lan...

Novel CrZrOx catalysts were designed and synthesized by the co-precipitation method first time used for selective catalytic reduction of NOx with NH3 (NH3-SCR). The promotional effect ZrO2 on Cr2O3 was investigated. SCR performance significantly enhanced appropriate addition in CrZrOx, owing to formation solid solution structure Cr-O-Zr conjunction bonds. Among tested catalysts, catalyst Cr:Zr ...

Nonelectrochemical hydrogen peroxide direct synthesis (HPDS) under ambient conditions is an environmentally benign and energy-efficient process that produces a green oxidizer, yet the reaction mechanism of HPDS still controversial. Inspired by recently suggested heterolytic involves electron proton transfer at Pd catalysts, we propose new electrochemical density functional theory (DFT) model co...