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Formation of Metallic Ag on AgBr by Femtosecond Laser Irradiation
dc.contributor.author | Cabral, Luís | |
dc.contributor.author | Andres, Juan | |
dc.contributor.author | Longo, Elson | |
dc.contributor.author | San-Miguel, Miguel A. | |
dc.contributor.author | da Silva, Edison | |
dc.date.accessioned | 2022-10-06T16:24:47Z | |
dc.date.available | 2022-10-06T16:24:47Z | |
dc.date.issued | 2022-06-01 | |
dc.identifier.citation | 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/ physchem2020013 | ca_CA |
dc.identifier.issn | 2673-7167 | |
dc.identifier.uri | http://hdl.handle.net/10234/200251 | |
dc.description.abstract | 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. | ca_CA |
dc.format.extent | 12 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.publisher | MDPI | ca_CA |
dc.relation | Química teórica y computacional: desde la catacterización de nuevos polimorfos (estructura, estabilidad relativa, propiedades eléctricas y ópticas, transiciones de fase inducidas por ... | ca_CA |
dc.relation | Química teórica y computacional: del estudio de materiales en estado sólido al análisis topológico de mecanismos de reacción | ca_CA |
dc.relation | Rational approaches toward the design of new materials by combining theory and experiment (APDEMAT_THEOEXP) | ca_CA |
dc.relation.isPartOf | Physchem, Vol. 2, Iss. 2 (June 2022) | ca_CA |
dc.rights | Copyright: © 2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ 4.0/). | ca_CA |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | ca_CA |
dc.subject | finite temperature-density functional theory | ca_CA |
dc.subject | ab initio molecular dynamics | ca_CA |
dc.subject | two-temperature model | ca_CA |
dc.subject | femtosecond laser irradiation | ca_CA |
dc.subject | AgBr | ca_CA |
dc.subject | clustering process | ca_CA |
dc.title | Formation of Metallic Ag on AgBr by Femtosecond Laser Irradiation | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | https://doi.org/10.3390/physchem2020013 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca_CA |
dc.type.version | info:eu-repo/semantics/publishedVersion | ca_CA |
project.funder.name | Brazilian agencies FAPESP (Fundação de Amparo à Pesquisa do Estado de São Paulo) | ca_CA |
project.funder.name | Universitat Jaume I | ca_CA |
project.funder.name | Generalitat Valenciana | ca_CA |
project.funder.name | Ministerio de Ciencia, Innovación y Universidades (España) | ca_CA |
oaire.awardNumber | 2018/20729-9 | ca_CA |
oaire.awardNumber | 2013/07296-2 | ca_CA |
oaire.awardNumber | 2016/23891-6 | ca_CA |
oaire.awardNumber | 2017/26105-4 | ca_CA |
oaire.awardNumber | UJI-B2019-30 | ca_CA |
oaire.awardNumber | AICO2020 | ca_CA |
oaire.awardNumber | PGC2018-094417-B-I00 | ca_CA |
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