The activity of truncated octahedral Pt38 clusters as a catalyst in the oxygen reduction reaction (ORR) is investigated via first-principles simulations. Three catalytic steps: O2 dissociation (O2ads → 2Oads), O hydration (Oads + H2Oads → 2OHads), and H2O formation (OHads + Hads → H2Oads) are considered, in which all reactant species are co-adsorbed on the Pt38 cluster according to a Langmuir–H...

Low-temperature β-BiNbO4 powders (denoted as Low-β) were prepared by citrate and Pechini methods using homemade water-soluble niobium precursors. The addition of ethylene glycol and the resultant polymerization effect on the synthesis and visible-light photocatalytic performance of β-BiNbO4 powders were fully investigated. The polymerization effect is beneficial to lower the phase formation tem...

The crosslinked gelatin/CuS/PVA nanocomposite catalyst prepared using gamma irradiation as initiator was extensively characterized using several techniques including transmission electron microscopy (TEM), UV-Vis spectroscopy, infrared spectroscopy (IR) and X-ray diffraction (XRD). We chose Rhodamine B (RhB) dye as a model contaminant in order to investigate its Photocatalytic activity under so...

The photocatalytic oxidation of gaseous chlorobenzene (CB) by the 365nm-induced photocatalyst La/N-TiO2, synthesized via a sol-gel and hydrothermal method, was evaluated. Response surface methodology (RSM) was used to model and optimize the conditions for synthesis of the photocatalyst. The optimal photocatalyst was 1.2La/0.5N-TiO2 (0.5) and the effects of La/N on crystalline structure, particl...

Herein, we report the modulation of ZnO for enhancement of its ability toward plasmonic absorption of near-infrared (NIR) photons through coupling of graphene (GR). The reported modification led GR-ZnO to be a promising photocatalyst by the complete removal of poisonous and nonvolatile potassium cyanide from water. The photocatalytic degradation of cyanide was revealed by exposing it to NIR las...

Photodegradation of eight pesticides in leaching water at pilot plant scale using the tandem ZnO/Na(2)S(2)O(8) as photosensitizer/oxidant and compound parabolic collectors under natural sunlight is reported. The pesticides, habitually used on pepper culture and belonging to different chemical groups were azoxyxtrobin, kresoxim-methyl, hexaconazole, tebuconazole, triadimenol, and pyrimethanil (f...

1,2-Bis(2,4,6-tribromophenoxy)ethane (BTBPE) is currently one of the most commonly applied novel brominated flame retardants. In this contribution, we analyze in detail the mechanisms pertinent to its thermal decomposition in view of analogous experimental findings. We demonstrate that a 1,3-hydrogen shift, leading to 2,4,6-tribromophenol (M9) and 1,3,5-tribromo-2-(vinyloxy)benzene (M10) molecu...

Proteins can be nitrated by air pollutants (NO2), enhancing their allergenic potential. This work provides 15 insight into protein nitration and subsequent decomposition in the presencet of solar radiation. We also investigated 16 light-induced formation of nitrous acid (HONO) from protein surfaces that were nitrated either online with 17 instantaneous gas phase exposure to NO2 or offline by an...

The catalytic wet air oxidation (CWAO) of phenol has been studied in trickled bed reactor using 2 wt.% platinum supported on carbon nanofibers (Pt/CNF) as catalyst. The catalyst was prepared by incipient wetness impregnation, and characterized by N2 adsorption, XRD and TEM. The operational variables studied and their range were: total air pressure, temperature, catalyst load, air and liquid flo...

The aim of the present study was to design a solar reactor and analyze its performance for removal of methyl violet dye (MV) from water with titanium dioxide as the photocatalyst. The solar reactor was made up of a flat-plate colorless glass of dimensions 1000 x 750 x 4 mm. The base of the reactor was made of aluminum. Various operating parameters were studied to investigate the behavior of the...