In this study, the adsorption behavior of the primary, secondary and tertiary alcohols over nanoscale (1 0 0) surface of defect spinel γ-alumina was investigated with the aid of density functional theory (DFT) at BLYP/DNP level of calculation. The influence of different substituents including alkyl, cycloalkyl, allyl and aryl were analyzed for free and adsorbed alcohols to shed light the adsorp...

The main objective of this work was to investigate on the possible conjunction of electrochemical processes (electrooxidation and electrocoagulation) for the treatment of dyes bearing wastewater for a possible valorisation in irrigation fields. The used methods were also tested separately to see the extent of the treatment yield of each technique. Experiments were conducted in laboratory confec...

Toxic alcohols that clinicians commonly encounter are ethylene glycol, methanol, and isopropanol. Adults ingest these either for suicidal intent or to achieve inebriation, since these substances are readily available and cheaper than alcohol. Nevertheless, assorted alcohols are used very often in many applications and any alcohol can be toxic if ingested in large enough quantities. Toxic alcoho...

The electrooxidation of benzylic alcohol derivative in acidic aqueous solution shows an oxidation pre-peak in the cyclic voltammogram, which means that the reaction is proceeding via an ECE mechanism where the second electron transfer occurs at a less positive potential. From the result of the rotating ring-disk electrode voltammetry, the initial oxidation response of the electrode reaction can...

We report Pt-Pd nanoparticles synthesized by means of a polyol process with glycerol as a reducing agent. The Pt-Pd nanoparticles exhibit dominantly exposed {111} facets in octahedral shape with complete alloy formation between Pt and Pd. Furthermore, the octahedral Pt-Pd alloy catalysts show improved catalytic activity and stability in methanol electrooxidation.

Monodisperse butylphenyl-functionalized palladium (Pd-BP, dia. 2.24 nm) nanoparticles were synthesized through co-reduction of butylphenyldiazonium and H(2)PdCl(4) by NaBH(4). Because of this unique surface functionalization and a high specific electrochemical surface area (122 m(2) g(-1)), the Pd-BP nanoparticles exhibited a mass activity ∼4.5 times that of commercial Pd black for HCOOH electr...

Electrosynthesis can be carried out in emulsions formed in situ via sonication of otherwise immiscible liquid/liquid systems. The basic physical principles underlying these experiments are introduced and illustrated via three examples: the electroreduction of liquid olefins, the Kolbe electrooxidation, and the electrogeneration of leuco-methylene green.

CO poisoning during methanol electrooxidation was investigated on PtAu alloys with different surface compositions. Results show that the CO formation can be reduced gradually with increasing surface Au fractions in PtAu alloys and CO poisoning can be almost eliminated by adjusting to a proper surface Au fraction.

We have successfully built a general framework to comprehend the structure-selectivity relationship in ethanol electrooxidation on platinum by density functional theory calculations. Based on the reaction mechanisms on three basal planes and five stepped surfaces, it was found that only (110) and n(111) × (110) sites can enhance CO2 selectivity but other non-selective step sites are more benefi...