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...

NNH2, can also readily form on Co3Mo3N surfaces via the Eley–Rideal chemisorption of H2 on a pre-adsorbed N2 at nitrogen vacancies. Based on this intermediate a new heterogeneous mechanism for hydrazine synthesis is studied. The highest relative barrier for this heterogeneous catalysed process is 213 kJ/mol for Co3Mo3N containing nitrogen vacancies, clearly pointing towards a low-energy process...

We investigated the reaction mechanism of a metal-unloaded zeolite-plasma hybrid system for decomposition of toluene at room temperature. Short-lived radicals and fast electrons did not contribute substantially to the reaction mechanism of toluene decomposition in the zeolite-plasma hybrid system. The main factor enhancing the reaction mechanism was gas-phase O3 directly reacting with toluene a...

Two-dimensional organometallic sheets containing regularly and separately distributed transition atoms (TMs) have received tremendous attentions due to their flexibility in synthesis, well-defined geometry and the promising applications in hydrogen storage, electronic circuits, quantum Hall effect, and spintronics. Here for the first time we present a study on the superior catalytic CO oxidatio...

Abundant molecular oxygen was discovered in the coma of comet 67P/Churyumov-Gerasimenko. Its origin was ascribed to primordial gaseous O2 incorporated into the nucleus during the comet's formation. This thesis was put forward after discounting several O2 production mechanisms in comets, including photolysis and radiolysis of water, solar wind-surface interactions and gas-phase collisions. Here ...

The mechanism of the CO oxidation promoted by a neutral Ag(55) cluster was investigated extensively, using density functional theory calculations. The CO oxidation process catalyzed by anionic and cationic Ag(55) clusters was also studied, to clarify the effects of the charge state. The Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms were discussed in detail. Six reaction pathways wer...

Lowry, 0. H., Rosebrough, N. J., Farr, A. L. & Randall, R. J. (1951). J. biol. Chem. 206, 677. McIndoe, W. M. (1959). Biochem. J. 72, 153. Morton, R. K. (1955). In Method8e in Enzymology, vol. 1, p. 25. Ed. by Colowick, S. P. & Kaplan, N. 0. New York: Academic Press Inc. Perlman, G. E. (1955). Advanc. Protein Chem. 10, 1. Rabinowitz, M. & Lipmann, F. (1958). Ab8tr. Comm. 4th int. Congr. Biochem...

A feature scale simulator for atomic layer deposition (ALD) is presented that combines a Boltzmann equation transport model with chemistry models. A simple but instructive chemistry is considered; one reactant species adsorbs onto the surface, and a second reactant reacts with it from the gas phase (Eley–Rideal). This work includes potential desorption of the adsorbed species during purge steps...