Electro-catazone treatment of an ozone-resistant drug: Effect of sintering temperature on TiO2 nanoflower catalyst on porous Ti gas diffuser anodes

Mechanisms of Positive Electric-Field-Enhanced Ti/Anatase TiO2 (1 0 1) Interfacial Adsorption of Ozone-Inert Pollutants: A Density Functional Theory Study

“…An anatase p(2 × 3) TiO 2 (1 0 1) slab supported on a two-layer p(4 × 4) Ti (1 0 0) was used to model Ti/TiO 2 , with the layers being separated by a vacuum of approximately 15 Å (AC) and 25 Å (IBU and NB) in the z -direction. TiO 2 (1 0 1) was selected as it is a stable crystal plane for anatase TiO 2 and was the exposed crystal plane in our previously designed Ti/anatase TiO 2 aeration electrode. , On these models, 3 × 3 × 1 Monkhorst–Pack K-point meshes of 3 × 3 × 1, 3 × 3 × 1, and 7 × 7 × 1 were set for the calculation of E ads , Bader charge, and density of state (DOS), respectively. All geometric structures of the surface and adsorption states, with and without the application of an external positive electric field, were optimized using a force-based conjugate gradient algorithm until the forces on all relaxed atoms were less than 0.05 e V Å –1 , and the energy convergence criterion was set at 1.0 × 10 –6 eV …”

“…In addition, in our previous study, 11 we also found that electrochemical action could not only enhance ozone decomposition but also effectively enhance ECs removal. 12,13,21,22 Once a positive electric field was applied to a TiO 2 nanoflower-loaded porous titanium aeration anode, the degradation rate of ozone-inert ECs, such as ibuprofen, was enhanced by approximately 8.3 times. In a study of the electrochemical oxidation of 5-hydroxymethylfurfural (HMF), Zhou et al 23 also found that an applied positive electric field significantly promoted the adsorption and enrichment of HMF at a CuO-PdO anode interface, which contributed to the subsequent interfacial oxidation.…”