Formation of Metallic Ag on AgBr by Femtosecond Laser Irradiation
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Otros documentos de la autoría: Cabral, Luís; Andres, Juan; Longo, Elson; San-Miguel, Miguel A.; da Silva, Edison
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Título
Formation of Metallic Ag on AgBr by Femtosecond Laser IrradiationFecha de publicación
2022-06-01Editor
MDPIISSN
2673-7167Cita bibliográfica
Cabral, L.; Andrés, J.; Longo, E.; San-Miguel, M.A.; da Silva, E.Z. Formation of Metallic Ag on AgBr by Femtosecond Laser Irradiation. Physchem 2022, 2, 179–190. https://doi.org/10.3390/ physchem2020013Tipo de documento
info:eu-repo/semantics/articleVersión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
Laser irradiation of materials induces changes in their structure and functional properties.
In this work, lattice heating and electronic excitation on silver bromide (AgBr), provoked by femtosecond laser irradiation, ... [+]
Laser irradiation of materials induces changes in their structure and functional properties.
In this work, lattice heating and electronic excitation on silver bromide (AgBr), provoked by femtosecond laser irradiation, have been investigated by finite-temperature density functional theory
and ab initio molecular dynamics calculations by using the two-temperature model. According to
our results, the electronic temperature of 0.25 eV is enough to excite the electrons from the valence
to the conduction band, whereas 1.00 eV changes the structural properties of the irradiated AgBr
material. Charge density simulations also show that an Ag clustering process and the formation of
Br3− complexes take place when the electronic temperature reaches 2.00 eV and 5.00 eV, respectively.
The present results can be used to obtain coherent control of the extreme nonequilibrium conditions
due to femtosecond laser irradiation for designing new functional materials. [-]
Publicado en
Physchem, Vol. 2, Iss. 2 (June 2022)Entidad financiadora
Brazilian agencies FAPESP (Fundação de Amparo à Pesquisa do Estado de São Paulo) | Universitat Jaume I | Generalitat Valenciana | Ministerio de Ciencia, Innovación y Universidades (España)
Código del proyecto o subvención
2018/20729-9 | 2013/07296-2 | 2016/23891-6 | 2017/26105-4 | UJI-B2019-30 | AICO2020 | PGC2018-094417-B-I00
Título del proyecto o subvención
Química teórica y computacional: desde la catacterización de nuevos polimorfos (estructura, estabilidad relativa, propiedades eléctricas y ópticas, transiciones de fase inducidas por ... | Química teórica y computacional: del estudio de materiales en estado sólido al análisis topológico de mecanismos de reacción | Rational approaches toward the design of new materials by combining theory and experiment (APDEMAT_THEOEXP)
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