Computational Modelling — Fe–O–Zr in MOF for effective photo-Fenton Bisphenol A degradation: Boosting mechanism of electronic transmission

Measurement evidence

Computational Modelling

Fe–O–Zr in MOF for effective photo-Fenton Bisphenol A degradation: Boosting mechanism of electronic transmission · Guan Z., Zhu S., Ding S. et al. · Chemosphere · 2022 · 134481

1 measurement group · 1 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

UPLC-MS product identification, Multiwfn molecular orbital calculations and T.E.S.T toxicity prediction

BPA degradation intermediates in FeUiO-1/H2O2/visible-light system · Model

BPA intermediates P1-P12 analysed for possible degradation pathway and toxicity.

Geometry: model system
Context: Application/mechanism context for FeUiO-1.
Measurement source: 9 · 3.4 Stability and recyclability of catalysts · Fig. 6d-g

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Predicted toxicity of BPA intermediates	toxicity of all intermediates decreases as the reaction proceeds	—	—	Text Qualitative	9 · 3.4 Stability and recyclability · Fig. 6e-g