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Theoretical and experimental investigation of UV–Vis absorption spectra in plasma-activated water

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dc.contributor.authorAzevedo Neto, Nilton F.
dc.contributor.authorGomes, Orisson P. [UNESP]
dc.contributor.authorMiranda, Felipe S. [UNESP]
dc.contributor.authorLisboa-Filho, Paulo N. [UNESP]
dc.contributor.authorBatagin-Neto, Augusto [UNESP]
dc.contributor.authorBégué, Didier
dc.contributor.authorPessoa, Rodrigo S.
dc.date.accessioned2026-06-02T20:54:44Z
dc.date.issued2025-10-14
dc.description.abstractThis research comprehensively examines the physicochemical and optical properties of plasma-activated water (PAW) produced by a serially associated dielectric barrier discharge (DBD) and gliding arc plasma jet (GAPJ) system. Experimental UV–Vis spectroscopy identified prominent absorption bands attributed to reactive oxygen and nitrogen species (RONS) such as nitrite (NO2−), nitrate (NO3−), hydrogen peroxide (H2O2), nitrous acid (HNO2), and nitric acid (HNO3). To precisely interpret the complex and overlapping experimental spectra, density functional theory (DFT) simulations were utilized to model electronic transitions. These theoretical findings crucially revealed the influence of protonation on the optical features, showing blue-shifted bands for ionic species and red-shifted bands for their protonated forms.Graphic abstractIntegrated UV-Vis and TD-DFT analysis of Plasma-Activated Water (PAW) from a serial DBD-GAPJ system, highlighting the decisive influence of protonation on the optical features of RONS
dc.description.affiliationPlasmas and Processing Laboratory, Aeronautics Institute of Technology, 12228-900, São José dos Campos, Brazil
dc.description.affiliationInstitut des SciencesAnalytiques et Physico-chimie pour l’environnement et les matériaux (IPREM), Universite de Pau et des Pays de l’Adour, CNRS, E2S UPPA, 64000, Pau, France
dc.description.affiliationSão Paulo State University, 17033-360, Bauru, Brazil
dc.description.affiliationDepartment of Environment Engineering, Institute of Science and Technology, São Paulo State University, 12247-016, São José dos Campos, Brazil
dc.description.affiliationUnespSão Paulo State University, 17033-360, Bauru, Brazil
dc.description.affiliationUnespDepartment of Environment Engineering, Institute of Science and Technology, São Paulo State University, 12247-016, São José dos Campos, Brazil
dc.identifierhttps://app.dimensions.ai/details/publication/pub.1193904796
dc.identifier.dimensionspub.1193904796
dc.identifier.doi10.1140/epjd/s10053-025-01074-y
dc.identifier.issn1434-6060
dc.identifier.issn1434-6079
dc.identifier.orcid0000-0002-0035-8489
dc.identifier.orcid0000-0002-5012-4592
dc.identifier.orcid0000-0002-7734-4069
dc.identifier.orcid0000-0003-4609-9002
dc.identifier.orcid0000-0001-7600-9747
dc.identifier.urihttps://hdl.handle.net/11449/325079
dc.publisherSpringer Nature
dc.relation.ispartofThe European Physical Journal D; n. 10; v. 79; p. 126
dc.rights.accessRightsAcesso restritopt
dc.rights.sourceRightsclosed
dc.sourceDimensions
dc.titleTheoretical and experimental investigation of UV–Vis absorption spectra in plasma-activated water
dc.typeArtigopt
dspace.entity.typePublication
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relation.isOrgUnitOfPublicationc73b286a-b5fa-4312-a7ec-62f987e7b514
relation.isOrgUnitOfPublication.latestForDiscoveryaef1f5df-a00f-45f4-b366-6926b097829b
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Ciências, Baurupt
unesp.campusUniversidade Estadual Paulista (UNESP), Instituto de Ciência e Tecnologia, São José dos Campospt

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Bauru - FC - Faculdade de Ciências
São José dos Campos - ICT - Instituto de Ciência e Tecnologia