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Evaluation of surface phenomena involved in photocatalytic degradation of Acid Blue 9 by TiO2 catalysts of single and mixed phase – A theoretical and experimental study

C. Paz,F. Ung,J. Zarate,J. A. Cortés

Published 2020 in Applied Surface Science

ABSTRACT

Abstract The performance of two TiO2 catalysts, anatase powder (ALD) and Degussa P25 (DP25), was evaluated through photodegradation of Acid Blue 9 (AB9). The results were used to exhibit a sort of selectivity identified in these systems. The photodegradation was performed through a batch annular non-sleeve photoreactor. The kinetic constant values (k) and discolouration profiles exhibited a sort of catalytic selectivity. The results were explained by surface phenomena approach through experimental and theoretical means, employing UV–Vis, X-ray diffraction, Z potential, DFT-Koopman’s descriptors and the catalyst total binding energy ((EBin,T)i,j). This contribution propose (EBin,T)i,j equation, which involves theoretical (binding energies (Ebinding)) and experimental (relative intensity of the main crystalline catalyst planes) variables. The photocatalysis using ALD showed the highest k; but the photocatalysis with DP25 exhibited a linear discolouration profile, indicating a complete degradation of AB9 and their by-products. The k values agreed with (EBin,T)i,j, so the performance of TiO2 catalysts was attributed to Ebinding; these energies are product of the hydrogen bonding between the catalyst crystalline planes and AB9, in aqueous medium. Also, two different AB9 pathways were identified through DFT-Koopman’s descriptors. The theoretical tools showed in this contribution are useful to understand the catalyst affinity and degradation pathways of pollutants.

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