Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles

Autores
Arroyave Rodriguez, Jeison Manuel; Ambrusi, Rubén Eduardo; Pronsato, Maria Estela; Juan, Alfredo; Pistonesi, Marcelo Fabian; Centurión, María Eugenia
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, the combination of experimental and theoretical results was employed to confirm an interaction between Cdots and AgNPs in the silver/Cdots hybrid nanoparticles. The experimental data obtained by UV Vis, IR, zeta potential and TGA techniques were correlated and interpreted by calculations obtained by DFT. Particularly, an interaction between the -COO- functional group of the Cdots with AgNPs was revealed. As consequence of this interaction, a frequency shift and a higher absorption intensity in the IR of the –OH group in the Cdots was theoretically predicted and also observed in the experimental IR spectra. Moreover a bonding and charge distribution analysis was also carried out. These results constitute new physical insight for Ag@Cdots system. Additionally, based in this type of interaction, energy calculations explained the negative charge surrounding the AgNPs, which was detected by zeta potential measurements. This systematic methodology is not only useful for this nanoparticles system, but could also be used to analyze the interaction between the components that constitute other types of hybrid nanoparticles.
Fil: Arroyave Rodriguez, Jeison Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Ambrusi, Rubén Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Pistonesi, Marcelo Fabian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Centurión, María Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Materia
DFT
Characterization techniques
Hybrid nanoparticles
normal modes
IR activity
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/118086
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/118086
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Experimental and DFT Studies of Hybrid Silver/Cdots NanoparticlesArroyave Rodriguez, Jeison ManuelAmbrusi, Rubén EduardoPronsato, Maria EstelaJuan, AlfredoPistonesi, Marcelo FabianCenturión, María EugeniaDFTCharacterization techniquesHybrid nanoparticlesnormal modesIR activityhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In this work, the combination of experimental and theoretical results was employed to confirm an interaction between Cdots and AgNPs in the silver/Cdots hybrid nanoparticles. The experimental data obtained by UV Vis, IR, zeta potential and TGA techniques were correlated and interpreted by calculations obtained by DFT. Particularly, an interaction between the -COO- functional group of the Cdots with AgNPs was revealed. As consequence of this interaction, a frequency shift and a higher absorption intensity in the IR of the –OH group in the Cdots was theoretically predicted and also observed in the experimental IR spectra. Moreover a bonding and charge distribution analysis was also carried out. These results constitute new physical insight for Ag@Cdots system. Additionally, based in this type of interaction, energy calculations explained the negative charge surrounding the AgNPs, which was detected by zeta potential measurements. This systematic methodology is not only useful for this nanoparticles system, but could also be used to analyze the interaction between the components that constitute other types of hybrid nanoparticles.Fil: Arroyave Rodriguez, Jeison Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Ambrusi, Rubén Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Pistonesi, Marcelo Fabian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Centurión, María Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaAmerican Chemical Society2020-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/118086Arroyave Rodriguez, Jeison Manuel; Ambrusi, Rubén Eduardo; Pronsato, Maria Estela; Juan, Alfredo; Pistonesi, Marcelo Fabian; et al.; Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles; American Chemical Society; Journal of Physical Chemistry B; 124; 12; 3-2020; 2425-24351089-5647CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.9b10430info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcb.9b10430info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:02:05Zoai:ri.conicet.gov.ar:11336/118086instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 12:02:06.042CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
title Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
spellingShingle Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
Arroyave Rodriguez, Jeison Manuel
DFT
Characterization techniques
Hybrid nanoparticles
normal modes
IR activity
title_short Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
title_full Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
title_fullStr Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
title_full_unstemmed Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
title_sort Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
dc.creator.none.fl_str_mv Arroyave Rodriguez, Jeison Manuel
Ambrusi, Rubén Eduardo
Pronsato, Maria Estela
Juan, Alfredo
Pistonesi, Marcelo Fabian
Centurión, María Eugenia
author Arroyave Rodriguez, Jeison Manuel
author_facet Arroyave Rodriguez, Jeison Manuel
Ambrusi, Rubén Eduardo
Pronsato, Maria Estela
Juan, Alfredo
Pistonesi, Marcelo Fabian
Centurión, María Eugenia
author_role author
author2 Ambrusi, Rubén Eduardo
Pronsato, Maria Estela
Juan, Alfredo
Pistonesi, Marcelo Fabian
Centurión, María Eugenia
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv DFT
Characterization techniques
Hybrid nanoparticles
normal modes
IR activity
topic DFT
Characterization techniques
Hybrid nanoparticles
normal modes
IR activity
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this work, the combination of experimental and theoretical results was employed to confirm an interaction between Cdots and AgNPs in the silver/Cdots hybrid nanoparticles. The experimental data obtained by UV Vis, IR, zeta potential and TGA techniques were correlated and interpreted by calculations obtained by DFT. Particularly, an interaction between the -COO- functional group of the Cdots with AgNPs was revealed. As consequence of this interaction, a frequency shift and a higher absorption intensity in the IR of the –OH group in the Cdots was theoretically predicted and also observed in the experimental IR spectra. Moreover a bonding and charge distribution analysis was also carried out. These results constitute new physical insight for Ag@Cdots system. Additionally, based in this type of interaction, energy calculations explained the negative charge surrounding the AgNPs, which was detected by zeta potential measurements. This systematic methodology is not only useful for this nanoparticles system, but could also be used to analyze the interaction between the components that constitute other types of hybrid nanoparticles.
Fil: Arroyave Rodriguez, Jeison Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Ambrusi, Rubén Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Pistonesi, Marcelo Fabian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Centurión, María Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
description In this work, the combination of experimental and theoretical results was employed to confirm an interaction between Cdots and AgNPs in the silver/Cdots hybrid nanoparticles. The experimental data obtained by UV Vis, IR, zeta potential and TGA techniques were correlated and interpreted by calculations obtained by DFT. Particularly, an interaction between the -COO- functional group of the Cdots with AgNPs was revealed. As consequence of this interaction, a frequency shift and a higher absorption intensity in the IR of the –OH group in the Cdots was theoretically predicted and also observed in the experimental IR spectra. Moreover a bonding and charge distribution analysis was also carried out. These results constitute new physical insight for Ag@Cdots system. Additionally, based in this type of interaction, energy calculations explained the negative charge surrounding the AgNPs, which was detected by zeta potential measurements. This systematic methodology is not only useful for this nanoparticles system, but could also be used to analyze the interaction between the components that constitute other types of hybrid nanoparticles.
publishDate 2020
dc.date.none.fl_str_mv 2020-03
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/118086
Arroyave Rodriguez, Jeison Manuel; Ambrusi, Rubén Eduardo; Pronsato, Maria Estela; Juan, Alfredo; Pistonesi, Marcelo Fabian; et al.; Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles; American Chemical Society; Journal of Physical Chemistry B; 124; 12; 3-2020; 2425-2435
1089-5647
CONICET Digital
CONICET
url http://hdl.handle.net/11336/118086
identifier_str_mv Arroyave Rodriguez, Jeison Manuel; Ambrusi, Rubén Eduardo; Pronsato, Maria Estela; Juan, Alfredo; Pistonesi, Marcelo Fabian; et al.; Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles; American Chemical Society; Journal of Physical Chemistry B; 124; 12; 3-2020; 2425-2435
1089-5647
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.9b10430
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcb.9b10430
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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