Dataset Information

Catalytic ozonation mechanism over M₁-N₃C₁ active sites.

ABSTRACT: The structure-activity relationship in catalytic ozonation remains unclear, hindering the understanding of activity origins. Here, we report activity trends in catalytic ozonation using a series of single-atom catalysts with well-defined M₁-N₃C₁ (M: manganese, ferrum, cobalt, and nickel) active sites. The M₁-N₃C₁ units induce locally polarized M - C bonds to capture ozone molecules onto M atoms and serve as electron shuttles for catalytic ozonation, exhibiting excellent catalytic activities (at least 527 times higher than commercial manganese dioxide). The combined in situ characterization and theoretical calculations reveal single metal atom-dependent catalytic activity, with surface atomic oxygen reactivity identified as a descriptor for the structure-activity relationship in catalytic ozonation. Additionally, the dissociation barrier of surface peroxide species is proposed as a descriptor for the structure-activity relationship in ozone decomposition. These findings provide guidelines for designing high-performance catalytic ozonation catalysts and enhance the atomic-level mechanistic understanding of the integral control of ozone and methyl mercaptan.

SUBMITTER: Ma D

PROVIDER: S-EPMC10622452 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature

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Catalytic ozonation mechanism over M1-N3C1 active sites.

Ma Dingren D Lian Qiyu Q Zhang Yexing Y Huang Yajing Y Guan Xinyi X Liang Qiwen Q He Chun C Xia Dehua D Liu Shengwei S Yu Jiaguo J

Nature communications 20231102 1

The structure-activity relationship in catalytic ozonation remains unclear, hindering the understanding of activity origins. Here, we report activity trends in catalytic ozonation using a series of single-atom catalysts with well-defined M1-N3C1 (M: manganese, ferrum, cobalt, and nickel) active sites. The M1-N3C1 units induce locally polarized M - C bonds to capture ozone molecules onto M atoms and serve as electron shuttles for c ...[more]

PMID: 37919306

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Project description:Following the advent of the coronavirus pandemic, tocilizumab has emerged as a potentially efficacious therapeutic intervention. The utilization of O3-Heterogeneous photocatalytic process (O3-HPCP) as a hybrid advanced oxidation technique has been employed for the degradation of pollutants. The present study employed a solvothermal technique for the synthesis of the BiOI-MOF composite. The utilization of FTIR, FESEM, EDAX, XRD, UV-vis, BET, TEM, and XPS analysis was employed to confirm the exceptional quality of the catalyst. the study employed an experimental design, subsequently followed by the analysis of collected data in order to forecast the most favorable conditions. The purpose of this study was to investigate the impact of several factors, including reaction time (30-60 min), catalyst dose (0.25-0.5 mg/L), pH levels (4-8), ozone concentration (20-40 mMol/L), and tocilizumab concentration (10-20 mg/L), on the performance of O3-HPCP. The best model was discovered by evaluating the F-value and P-value coefficients, which were found to be 0.0001 and 347.93, respectively. In the given experimental conditions, which include a catalyst dose of 0.46 mg/L, a reaction time of 59 min, a pH of 7.0, and an ozone concentration of 32 mMol/L, the removal efficiencies were found to be 92% for tocilizumab, 79.8% for COD, and 59% for TOC. The obtained R2 value of 0.98 suggests a strong correlation between the observed data and the predicted values, indicating that the reaction rate followed first-order kinetics. The coefficient of synergy for the degradation of tocilizumab was shown to be 1.22. The catalyst exhibited satisfactory outcomes, but with a marginal reduction in efficacy of approximately 3%. The sulfate ion (SO42-) exhibited no influence on process efficiency, whereas the nitrate ion (NO3-) exerted the most significant impact among the anions. The progress of the process was impeded by organic scavengers, with methanol exhibiting the most pronounced influence and sodium azide exerting the least significant impact. The efficacy of pure BiOI and NH2-MIL125 (Ti) was diminished when employed in their pure form state. The energy consumption per unit of degradation, denoted as EEO, was determined to be 161.8 KWh/m3-order.

Dataset Information

Catalytic ozonation mechanism over M₁-N₃C₁ active sites.

Publications

Catalytic ozonation mechanism over M<sub>1</sub>-N<sub>3</sub>C<sub>1</sub> active sites.

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