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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/90783
Ver los metadatos del registro completo
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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 Técnicas2025-09-29T09:37:14Zoai: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:34982025-09-29 09:37:14.358CONICET 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 |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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13.070432 |