Ag-doped SrTiO3: Enhanced water splitting for hydrogen production

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorFederal Institute of Maranhão – IFMA-
Autor(es): dc.contributorMaranhense Center College – FCMA/UNICENTRO-
Autor(es): dc.contributorFederal University of Paraíba-
Autor(es): dc.contributorUniversidade Federal de São Carlos (UFSCar)-
Autor(es): dc.creatorAzevedo, Sergio A.-
Autor(es): dc.creatorLaranjeira, José A.S.-
Autor(es): dc.creatorSilva, Jeronimo F.-
Autor(es): dc.creatorLongo, Elson-
Autor(es): dc.creatorSambrano, Julio R.-
Data de aceite: dc.date.accessioned2025-08-21T15:27:00Z-
Data de disponibilização: dc.date.available2025-08-21T15:27:00Z-
Data de envio: dc.date.issued2025-04-29-
Data de envio: dc.date.issued2024-08-19-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.ijhydene.2024.06.311-
Fonte completa do material: dc.identifierhttps://hdl.handle.net/11449/298950-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/298950-
Descrição: dc.descriptionThis study investigates the effect of Ag-doping on the (001) surface of SrTiO3 (STO) to enhance hydrogen production via water-splitting employing density functional theory (DFT) simulations. It was found that the heterolytic water dissociation on Ag-doped (001)-STO occurs via a first-order reaction with an energy barrier of 5.74 kJ/mol, representing a reduction of 94% compared to undoped (001)-STO. The Gibbs free energy of H2 formation catalyzed by Ag-doped (001)-STO is approximately −302 kJ/mol, indicating the spontaneity of this process. Additionally, the surface band gap energy decreases by ∼2 eV after water-splitting, suggesting charge transfer from the Ag-doped STO to the water and leading to new electron-hole recombination states. This research underscores the potential of Ag-doping in enhancing the efficiency of hydrogen production through water-splitting, contributing to the development of greener and more efficient energy technologies.-
Descrição: dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
Descrição: dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
Descrição: dc.descriptionModeling and Molecular Simulation Group School of Sciences São Paulo State University (UNESP)-
Descrição: dc.descriptionFederal Institute of Maranhão – IFMA, MA-
Descrição: dc.descriptionMaranhense Center College – FCMA/UNICENTRO, MA-
Descrição: dc.descriptionNPE-LACOM Federal University of Paraíba, Paraíba-
Descrição: dc.descriptionCDMF Federal University of São Carlos, SP-
Descrição: dc.descriptionModeling and Molecular Simulation Group School of Sciences São Paulo State University (UNESP)-
Descrição: dc.descriptionCNPq: 150187/2023-8-
Descrição: dc.descriptionCNPq: 307213/2021–8-
Formato: dc.format199-207-
Idioma: dc.languageen-
Relação: dc.relationInternational Journal of Hydrogen Energy-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectAg-doping-
Palavras-chave: dc.subjectH2 production-
Palavras-chave: dc.subjectPlasmonic effect-
Palavras-chave: dc.subjectSrTiO3-
Palavras-chave: dc.subjectWater-splitting-
Título: dc.titleAg-doped SrTiO3: Enhanced water splitting for hydrogen production-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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