Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots

Autores
Douglas Gallardo, Oscar Alejandro; Sanchez, Cristian Gabriel; Vöhringer-Martinez, Esteban
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Nowadays, the search for efficient methods able to reduce the high atmospheric carbon dioxide concentration has turned into a very dynamic research area. Several environmental problems have been closely associated with the high atmospheric level of this greenhouse gas. Here, a novel system based on the use of surface-functionalized silicon quantum dots (sf-SiQDs) is theoretically proposed as a versatile device to bind carbon dioxide. Within this approach, carbon dioxide trapping is modulated by a photoinduced charge redistribution between the capping molecule and the silicon quantum dots (SiQDs). The chemical and electronic properties of the proposed SiQDs have been studied with a Density Functional Theory and Density Functional Tight-Binding (DFTB) approach along with a time-dependent model based on the DFTB framework. To the best of our knowledge, this is the first report that proposes and explores the potential application of a versatile and friendly device based on the use of sf-SiQDs for photochemically activated carbon dioxide fixation.
Fil: Douglas Gallardo, Oscar Alejandro. Universidad de Concepción; Chile
Fil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Vöhringer-Martinez, Esteban. Universidad de Concepción; Chile
Materia
CO2 capture
Quantum dots
DFTB
DFT
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:11336/90783
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dotsDouglas Gallardo, Oscar AlejandroSanchez, Cristian GabrielVöhringer-Martinez, EstebanCO2 captureQuantum dotsDFTBDFThttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Nowadays, the search for efficient methods able to reduce the high atmospheric carbon dioxide concentration has turned into a very dynamic research area. Several environmental problems have been closely associated with the high atmospheric level of this greenhouse gas. Here, a novel system based on the use of surface-functionalized silicon quantum dots (sf-SiQDs) is theoretically proposed as a versatile device to bind carbon dioxide. Within this approach, carbon dioxide trapping is modulated by a photoinduced charge redistribution between the capping molecule and the silicon quantum dots (SiQDs). The chemical and electronic properties of the proposed SiQDs have been studied with a Density Functional Theory and Density Functional Tight-Binding (DFTB) approach along with a time-dependent model based on the DFTB framework. To the best of our knowledge, this is the first report that proposes and explores the potential application of a versatile and friendly device based on the use of sf-SiQDs for photochemically activated carbon dioxide fixation.Fil: Douglas Gallardo, Oscar Alejandro. Universidad de Concepción; ChileFil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Vöhringer-Martinez, Esteban. Universidad de Concepción; ChileAmerican Institute of Physics2018-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/90783Douglas Gallardo, Oscar Alejandro; Sanchez, Cristian Gabriel; Vöhringer-Martinez, Esteban; Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots; American Institute of Physics; Journal of Chemical Physics; 148; 14; 4-20180021-96061089-7690CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.5027492info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-12T09:35:15Zoai:ri.conicet.gov.ar:11336/90783instacron: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:34982025-11-12 09:35:16.175CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
title Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
spellingShingle Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
Douglas Gallardo, Oscar Alejandro
CO2 capture
Quantum dots
DFTB
DFT
title_short Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
title_full Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
title_fullStr Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
title_full_unstemmed Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
title_sort Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
dc.creator.none.fl_str_mv Douglas Gallardo, Oscar Alejandro
Sanchez, Cristian Gabriel
Vöhringer-Martinez, Esteban
author Douglas Gallardo, Oscar Alejandro
author_facet Douglas Gallardo, Oscar Alejandro
Sanchez, Cristian Gabriel
Vöhringer-Martinez, Esteban
author_role author
author2 Sanchez, Cristian Gabriel
Vöhringer-Martinez, Esteban
author2_role author
author
dc.subject.none.fl_str_mv CO2 capture
Quantum dots
DFTB
DFT
topic CO2 capture
Quantum dots
DFTB
DFT
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Nowadays, the search for efficient methods able to reduce the high atmospheric carbon dioxide concentration has turned into a very dynamic research area. Several environmental problems have been closely associated with the high atmospheric level of this greenhouse gas. Here, a novel system based on the use of surface-functionalized silicon quantum dots (sf-SiQDs) is theoretically proposed as a versatile device to bind carbon dioxide. Within this approach, carbon dioxide trapping is modulated by a photoinduced charge redistribution between the capping molecule and the silicon quantum dots (SiQDs). The chemical and electronic properties of the proposed SiQDs have been studied with a Density Functional Theory and Density Functional Tight-Binding (DFTB) approach along with a time-dependent model based on the DFTB framework. To the best of our knowledge, this is the first report that proposes and explores the potential application of a versatile and friendly device based on the use of sf-SiQDs for photochemically activated carbon dioxide fixation.
Fil: Douglas Gallardo, Oscar Alejandro. Universidad de Concepción; Chile
Fil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Vöhringer-Martinez, Esteban. Universidad de Concepción; Chile
description Nowadays, the search for efficient methods able to reduce the high atmospheric carbon dioxide concentration has turned into a very dynamic research area. Several environmental problems have been closely associated with the high atmospheric level of this greenhouse gas. Here, a novel system based on the use of surface-functionalized silicon quantum dots (sf-SiQDs) is theoretically proposed as a versatile device to bind carbon dioxide. Within this approach, carbon dioxide trapping is modulated by a photoinduced charge redistribution between the capping molecule and the silicon quantum dots (SiQDs). The chemical and electronic properties of the proposed SiQDs have been studied with a Density Functional Theory and Density Functional Tight-Binding (DFTB) approach along with a time-dependent model based on the DFTB framework. To the best of our knowledge, this is the first report that proposes and explores the potential application of a versatile and friendly device based on the use of sf-SiQDs for photochemically activated carbon dioxide fixation.
publishDate 2018
dc.date.none.fl_str_mv 2018-04
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/11336/90783
Douglas Gallardo, Oscar Alejandro; Sanchez, Cristian Gabriel; Vöhringer-Martinez, Esteban; Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots; American Institute of Physics; Journal of Chemical Physics; 148; 14; 4-2018
0021-9606
1089-7690
CONICET Digital
CONICET
url http://hdl.handle.net/11336/90783
identifier_str_mv Douglas Gallardo, Oscar Alejandro; Sanchez, Cristian Gabriel; Vöhringer-Martinez, Esteban; Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots; American Institute of Physics; Journal of Chemical Physics; 148; 14; 4-2018
0021-9606
1089-7690
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.5027492
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 Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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 12.976206

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