A Tale of Reactive Oxygen Species on the Ag3PO4(110) Surface
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Show full item recordcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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INVESTIGACIONMetadata
Title
A Tale of Reactive Oxygen Species on the Ag3PO4(110) SurfaceAuthor (s)
Date
2023-12-07Publisher
American Chemical SocietyISSN
1932-7447; 1932-7455Bibliographic citation
Felipe Lipsky, Luis Henrique da Silveira Lacerda, Lourdes Gracia, Beatriz G. Foschiani, Marcelo Assis, Mónica Oliva, Elson Longo, Juan Andrés, and Miguel A. San-Miguel The Journal of Physical Chemistry C 2023 127 (48), 23235-23245 DOI: 10.1021/acs.jpcc.3c06321Type
info:eu-repo/semantics/articleVersion
info:eu-repo/semantics/acceptedVersionSubject
Abstract
Herein, we report a study of Ag3PO4 microcrystals in the accomplishment of their enhanced degradation process and bactericidal activity. Based on experimental results and density functional theory free energy profiles, ... [+]
Herein, we report a study of Ag3PO4 microcrystals in the accomplishment of their enhanced degradation process and bactericidal activity. Based on experimental results and density functional theory free energy profiles, we propose a new mechanism for the multifunctional competence of the Ag3PO4(110) surface. Coadsorbed H2O and O2 molecules regulate an energetically favorable pathway that efficiently activates the dissociation of H2O and stabilizes the formed reactive oxygen species (ROS) precursors: hydroxyl (•OH) and superoxide (•O2–) radicals. This work is a proof of concept to interpret the surface reactions on Ag3PO4 and provides a new perspective to understand at the atomic level the catalytic process/mechanism for the initial stages of ROS production on metal oxide semiconductor surfaces. [-]
Is part of
J. Phys. Chem. C 2023, 127, 48, 23235–23245Funder Name
São Paulo Research Foundation (FAPESP) | Coordenação de Aperfeiçoamentode Pessoalde Nível Superior (CAPES) | National Councilfor Scientificand Technological Development (CNPq) | Centro Nacionalde Processamento de Alto Desempenho em São Paulo (CENAPAD-SP) | Centro de Computação John David Rogers (CCJDR-UNICAMP) | National Laboratory for Scientific Computing (LNCC/MCTI,Brazil) | Universitat Jaume I | Generalitat Valenciana | European Union
Project code
2013/07296-2 | 2016/23891-6 | 2017/26105-4 | 2020/03780-0 | 305792/2020-2 | CIAICO/2021/122 | 88887.695471/2022-00
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© 2023 American Chemical Society
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