Efficient hot-carrier dynamics in near-infrared photocatalytic metals

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Autor(es): dc.contributorUniversidad Privada del Norte-
Autor(es): dc.contributorUniversity of California-
Autor(es): dc.contributorNational Research Council-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.creatorVillegas, Cesar E. P.-
Autor(es): dc.creatorLeite, Marina S.-
Autor(es): dc.creatorMarini, Andrea-
Autor(es): dc.creatorRocha, Alexandre R.-
Data de aceite: dc.date.accessioned2025-08-21T22:23:42Z-
Data de disponibilização: dc.date.available2025-08-21T22:23:42Z-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2022-04-15-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1103/PhysRevB.105.165109-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/240845-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/240845-
Descrição: dc.descriptionPhotoexcited metals can produce highly energetic hot carriers whose controlled generation and extraction is a promising avenue for technological applications. While hot-carrier dynamics in Au-group metals have been widely investigated, a microscopic description of the dynamics of photoexcited carriers in the mid-infrared and near-infrared Pt-group metals range is still scarce. Since these materials are widely used in catalysis and, more recently, in plasmonic catalysis, their microscopic carrier dynamics characterization is crucial. We employ ab initio many-body perturbation theory to investigate the hot-carrier generation, relaxation times, and mean free path in bulk Pd and Pt. We show that the direct optical transitions of photoexcited carriers in these metals are mainly generated in the near-infrared range. We also find that the electron-phonon mass enhancement parameter for Pt is 16% higher than Pd, a result that helps explain several experimental results showing diverse trends. Moreover, we predict that Pd (Pt) hot electrons possess total relaxation times of up to 35 fs (24 fs), taking place at approximately 0.5 eV (1.0 eV) above the Fermi energy. Finally, an efficient hot electron generation and extraction can be achieved in nanofilms of Pd (110) and Pd (100) when subject to excitation energies ranging from 0.4 to 1.6 eV.-
Descrição: dc.descriptionDepartamento de Ciencias Universidad Privada del Norte-
Descrição: dc.descriptionDepartment of Materials Science and Engineering University of California-
Descrição: dc.descriptionIstituto di Struttura della Materia Division of Ultrafast Processes in Materials (FLASHit) National Research Council, via Salaria Km 29.3, Stazione-
Descrição: dc.descriptionInstituto de Física Teórica Universidade Estadual Paulista (UNESP), Rua Dr. Bento T. Ferraz, 271-
Descrição: dc.descriptionInstituto de Física Teórica Universidade Estadual Paulista (UNESP), Rua Dr. Bento T. Ferraz, 271-
Idioma: dc.languageen-
Relação: dc.relationPhysical Review B-
???dc.source???: dc.sourceScopus-
Título: dc.titleEfficient hot-carrier dynamics in near-infrared photocatalytic metals-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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