Photocatalytic reduction of carbon dioxide to formaldehyde was investigated on four semiconductor photocatalysts (FeS, FeS/FeS2, NiO and TiO2). The reaction was carried out in continues flow of CO2 gas bubbled into the reactor. Semiconductor photocatalysts were characterized by X-Ray diffraction (XRD) and Diffuse Reflectance Spectroscopic (DRS) methods. Sulfide ion was used as hole scavenger. The […]
In this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-CA) to convert carbon dioxide to bicarbonate ion. Density functional theory (DFT) using B3LYP and UB3LYP functional and three split-valance including 6-31G*, 6-311G** and 6-311++G** basis sets were used to calculate the details of electronic structure and […]
