Unbiased Monte Carlo procedures are applied to investigate the structure of Cu clusters of various sizes deposited over reconstructed polar ZnO surfaces. Four distinct reconstructed polar ZnO surfaces (two Zn terminated reconstructions, and two O terminated reconstructions) were investigated, having previously been determined to be the most stable under typical…
This poster illustrates the adoption and customisation of a process for aligning existing data objects with the FAIR data principles (Findability, Accessibility, Interoperability, and Reuse [3, 6]). This is a preparatory step for creating the Catalysis Data Infrastructure (CDI), an online repository that stores persistent relationships between different types of data…
Sustainable chemical transformations of renewables for fine chemical synthesis require tremendous activity and high selectivity. Homogeneous/bio-catalysts in aqueous media often suffer from poor substrate solubility, difficult catalyst/product separation and subsequent poor catalyst recycle. This may be overcome by protecting the active site in a chemical ‘raincoat’. This raincoat must be…
In recent years the quantity of natural gas available has increased significantly due to shale gas production. However, shale gas extraction and processing produce large amounts of wastewater containing high concentrations of suspended solids, organics, chemicals, naturally occurring radioactive materials and dissolved inorganic materials (e.g. halides and heavy metals). Energy…
The “MAX”-phase of over 100 ternary carbides/nitrides was first identified in the 1960s.1 The nomenclature is an abbreviation of the general formula of these 2D material ‘Mn+1AXn’, whereby M denotes a transition metal and A/X represent an A group element and carbon/nitrogen respectively .2,3 They also display a very novel combination of…
Varied calcination temperature of Mg/Al hydrotalcite catalyst is investigated with the aim of optimizing the catalytic performance by measuring the conversion of furfural. Various physicochemical characterization techniques, for example XRD, FTIR, and Thermal analysis are employed to explain the differences in catalytic activity of hydrotalcites calcined at different temperatures. An in…
During the last decade, renewable fuels have become an important focus of research in the energy field. Likewise, building block molecules derived from biomass residues emerge as a sustainable alternative in the production of valuable chemicals and bio-additives. In this sense, the catalytic valorization of glycerol, generated from biodiesel production,…
Developing efficient methods to treat produced water can mitigate the significant concern caused by shale gas extraction. Among various wastewater treatment methods, catalytic wet oxidation (CWO) has shown promising potential in produced water treatment and an almost complete organic removal (about 97% chemical oxygen demand removal) was reported. Cerium oxide…
Bifunctional zeolite catalysts have been demonstrated to depolymerise polyolefins via hydrocracking, and this work aims to replace expensive and earth-scarce precious metals such as platinum and palladium with earth abundant transition metal chalcogenides. Nickel sulfide, a common hydrocracking and hydrotreating catalyst for petroleum refining, was synthesized from the single source…
Olefins are among the most abundant and widely available chemical feedstock, indispensable for both the synthetic and biological communities due to their unique reactivity profile. Thus, hydrogenation and hydrofunctionalisation of C-C double bonds are important transformations to access pharmaceutical and chemical compounds that are produced at an industrial scale [1]. The photocatalytic reduction…
