Cooperation of Fe(II) and peroxymonosulfate for enhancement of sulfamethoxazole photodegradation: mechanism study and toxicity elimination.

This study aims at systematically examining the potential of removing the emerging pollutant sulfamethoxazole (SMX) from aqueous solution under photo-assisted peroxymonosulfate (PMS) activation by Fe(ii). The residual SMX was determined by HPLC analysis. The concentration of Fe(ii) ([Fe(ii)]) was monitored during SMX degradation.

Correction: Synthesis of a well-dispersed CaFeO/g-CN/CNT composite towards the degradation of toxic water pollutants under visible light.

[This corrects the article DOI: 10.1039/C9RA05005A.].

Synthesis of a well-dispersed CaFeO/g-CN/CNT composite towards the degradation of toxic water pollutants under visible light.

Herein, we fabricated a ternary photocatalyst composed of CaFeO, multiwalled carbon nanotubes (CNTs) and graphitic carbon nitride (g-CN) a simple hydrothermal route. CaFeO acted as a photosensitizer medium and the CNT acted as a co-catalyst, which remarkably enhanced the photocatalytic performances of g-CN towards the degradation of hexavalent chromium (Cr(vi)) and the antibiotic tetracycline (TC) under visible light irradiation. To investigate the morphological and topological features of the photocatalyst, field-emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM) analyses were performed.

Theoretical study of isotope effects on the stereodynamics of H⁺+HD and its isotopic variant D⁺+HD.

The stereodynamics for H(+)+HD and its isotopic variant D(+)+HD were studied with a quasi-classical trajectory (QCT) method at a collision energy of 0.7 eV on the ground 1(1)A' potential energy surface (PES). The polarization-dependent differential cross-sections (PDDCSs) in the center-of-mass frame are presented here.

Decomposition of ethanol on Pd(111): a density functional theory study.

Ethanol decomposition over Pd(111) has been systematically investigated using self-consistent periodic density functional theory, and the decomposition network has been mapped out. The most stable adsorption of the involved species tends to follow the gas-phase bond order rules, wherein C is tetravalent and O is divalent with the missing H atoms replaced by metal atoms. Desorption is preferable for adsorbed ethanol, methane, and CO, while for the other species decomposition is preferred.

Theoretical survey of the potential energy surface of methyl nitrite + Cu+ reaction.

The gas-phase reaction of methyl nitrite with Cu+ has been investigated using density functional theory. The geometries and energies of all the stationary points involved in the reaction have been investigated at the B3LYP/6-311+G(2df,2pd) level. Seven different structures of the encounter complexes could be formed when Cu+ attacking at different electronegative heteroatoms of trans and cis conformational isomers of methyl nitrite, in which the inner oxygen attacks account for the most stable complexes.