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dc.contributor.author
Douglas Gallardo, Oscar Alejandro
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dc.contributor.author
Sanchez, Cristian Gabriel
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dc.contributor.author
Vöhringer-Martinez, Esteban
dc.date.available
2019-11-28T16:51:32Z
dc.date.issued
2018-04
dc.identifier.citation
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
dc.identifier.issn
0021-9606
dc.identifier.uri
http://hdl.handle.net/11336/90783
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Institute of Physics
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
CO2 capture
dc.subject
Quantum dots
dc.subject
DFTB
dc.subject
DFT
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-09-30T18:31:59Z
dc.identifier.eissn
1089-7690
dc.journal.volume
148
dc.journal.number
14
dc.journal.pais
Estados Unidos
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dc.description.fil
Fil: Douglas Gallardo, Oscar Alejandro. Universidad de Concepción; Chile
dc.description.fil
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
dc.description.fil
Fil: Vöhringer-Martinez, Esteban. Universidad de Concepción; Chile
dc.journal.title
Journal of Chemical Physics
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1063/1.5027492
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