Chakinala, N. orcid.org/0000-0003-1835-3464, Ranjan, P., Chakinala, A.G. et al. (1 more author) (2023) Performance comparison of photocatalysts for degradation of organic pollutants using experimental studies supported with DFT and fundamental characterization. Catalysis Communications, 174. 106589. ISSN 1566-7367
Abstract
The effect of different metal supported TiO2 catalysts on the photocatalytic degradation of p-Nitrophenol (PNP) was investigated experimentally and supported by Density Functional Theory (DFT) approach. Process optimization studies were carried out using the best performing catalyst and the effect of different electron acceptors was also investigated. Degradation was strongly influenced by operating parameters and oxidants with efficacy as H2O2 > K2S2O8 > air. DFT simulations confirmed higher electrostatic potential in presence of hydroxyl radicals explaining the higher degradation. Overall, this work clearly establishes the effectiveness of electron acceptors in maximizing PNP degradation and explains the interaction of organic pollutants with different radicals.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2022 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/bync-nd/4.0/). |
Keywords: | Photocatalysis; Bi-metallic catalysts; PNP degradation; Oxidants; DFT computations |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Physical Chemistry (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 10 Feb 2025 14:56 |
Last Modified: | 10 Feb 2025 14:56 |
Status: | Published |
Publisher: | Elsevier |
Identification Number: | 10.1016/j.catcom.2022.106589 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:223030 |