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Understanding Reaction Kinetics by Tailoring Metal Co-catalysts of the BiVO4 Photocatalyst.

ABSTRACT: In this study, the reaction mechanisms of metal-semiconductor composites used as photocatalysts were demonstrated by first preparing bismuth vanadate (BiVO4) and then performing photodeposition of metal nanoparticles. The photocatalytic activity of metal-BiVO4 (M-BiVO4, where M = Pt, Au, Ag) composites were evaluated through dye decomposition under UV-vis irradiation. The photocatalytic efficiency was significantly enhanced after Pt deposition as compared to other M-BiVO4 composites. The size or shape of BiVO4 was not the main factor for the efficiency of Pt-BiVO4. However, a deposited Pt co-catalyst was essential for the photocatalytic decomposition of dye on the BiVO4 surface. Radical scavengers were employed to elucidate the reaction mechanism during the photocatalytic reaction with the Pt-BiVO4 composite. This study provides details on the reaction mechanism of the photocatalytic reaction on Pt at the BiVO4 surface under solar irradiation.

SUBMITTER: Choe HR

PROVIDER: S-EPMC6788043 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

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Understanding Reaction Kinetics by Tailoring Metal Co-catalysts of the BiVO4 Photocatalyst.

Choe Hye Rin HR Kim Ji Hyeon JH Ma Ahyeon A Jung Haeun H Kim Ha Young HY Nam Ki Min KM

ACS omega 20190926 15

In this study, the reaction mechanisms of metal-semiconductor composites used as photocatalysts were demonstrated by first preparing bismuth vanadate (BiVO4) and then performing photodeposition of metal nanoparticles. The photocatalytic activity of metal-BiVO4 (M-BiVO4, where M = Pt, Au, Ag) composites were evaluated through dye decomposition under UV-vis irradiation. The photocatalytic efficiency was significantly enhanced after Pt deposition as compared to othe ...[more]

PMID: 31616841

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Project description:Understanding arsenic reactions with ferric hydroxides is important in understanding arsenic transport in the environment and in designing systems for removing arsenic from potable water. Many experimental studies have shown that the kinetics of arsenic adsorption on ferric hydroxides is biphasic, where a fraction of the arsenic adsorption occurs on a time scale of seconds while full equilibrium may require weeks to attain. This research employed density functional theory modeling in order to understand the mechanisms contributing to biphasic arsenic adsorption kinetics. The reaction energies and activation barriers for three modes of arsenate adsorption to ferric hydroxides were calculated. Gibbs free energies of reaction depended on the net charge of the complexes, which is a function of the system pH value. Physical adsorption of arsenate to ferric hydroxide proceeded with no activation barrier, with Gibbs free energies of reaction ranging from -21 to -58 kJ/mol. The highest Gibbs free energies of reaction for physical adsorption resulted from negative charge assisted hydrogen bonding between H atoms on the ferric hydroxide and O atoms in arsenate. The conversion of physically adsorbed arsenate into monodentate surface complexes had Gibbs free energies of activation ranging from 62 to 73 kJ/mol, and Gibbs free energies of reaction ranging from -23 to -38 kJ/mol. The conversion of monodentate surface complexes to bidentate, binuclear complexes had Gibbs free energies of activation ranging from 79 to 112 kJ/mol and Gibbs free energies of reaction ranging from -11 to -55 kJ/mol. For release of arsenate from uncharged bidentate complexes, energies of activation as high as 167 kJ/mol were encountered. Increasingly negative charges on the complexes lowered the activation barriers for desorption of arsenate, and in complexes with -2 charges, the highest activation barrier was 65 kJ/mol. This study shows that the slow kinetics associated with arsenic adsorption and desorption can be attributed to the high Gibbs free energies of activation for forming and breaking bonds with the ferric hydroxide.

Dataset Information

Understanding Reaction Kinetics by Tailoring Metal Co-catalysts of the BiVO4 Photocatalyst.

Publications

Understanding Reaction Kinetics by Tailoring Metal Co-catalysts of the BiVO<sub>4</sub> Photocatalyst.

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