Footprint organization of chiral molecules on metallic surfaces

We study the behavior of chiral molecules adsorbed on clean metallic surfaces using a lattice-gas model and Monte Carlo simulation. The aim is to model and simulate the structure (footprints and organization) formed by molecules on the surface as they adsorb. The model, which is applicable to chiral...

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Detalles Bibliográficos
Autores: Uñac, Rodolfo Omar, Gil Rabaza, A. V., Vidales, Ana Maria, Zgrablich, Jorge Andres
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2007
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/117237
Acceso en línea:http://hdl.handle.net/11336/117237
Access Level:acceso abierto
Palabra clave:ADSORPTION
CHIRAL MOLECULES
EXTENDED CHIRAL PHASES
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
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spelling Footprint organization of chiral molecules on metallic surfacesUñac, Rodolfo OmarGil Rabaza, A. V.Vidales, Ana MariaZgrablich, Jorge AndresADSORPTIONCHIRAL MOLECULESEXTENDED CHIRAL PHASEShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We study the behavior of chiral molecules adsorbed on clean metallic surfaces using a lattice-gas model and Monte Carlo simulation. The aim is to model and simulate the structure (footprints and organization) formed by molecules on the surface as they adsorb. The model, which is applicable to chiral species like S- and R-alanine, or similar, discloses the conditions to generate different ordered phases that have been observed in experiments by other authors. In our model, each enantiomer may adsorb in two different configurations (species) and several effects are taken into account: inhibition, blockage of neighboring adsorptive sites (steric effects) and promotion of sites representing, in some sense, modifications in the surface properties due to molecule-surface interactions. These adsorption rules are inspired by the enantiomeric character of adsorbed species. We perform a systematic study of the different phases formed in order to qualitatively understand the mechanism for the formation of adsorbate structures experimentally found by other authors.Fil: Uñac, Rodolfo Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Gil Rabaza, A. V.. Universidad Nacional de San Luis; ArgentinaFil: Vidales, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaElsevier Science2007-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/117237Uñac, Rodolfo Omar; Gil Rabaza, A. V.; Vidales, Ana Maria; Zgrablich, Jorge Andres; Footprint organization of chiral molecules on metallic surfaces; Elsevier Science; Applied Surface Science; 254; 1; 10-2007; 125-1300169-4332CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2007.07.147info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0169433207009543info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T13:58:59Zoai:ri.conicet.gov.ar:11336/117237instacron: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:34982024-05-08 13:58:59.52CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Footprint organization of chiral molecules on metallic surfaces
title Footprint organization of chiral molecules on metallic surfaces
spellingShingle Footprint organization of chiral molecules on metallic surfaces
Uñac, Rodolfo Omar
ADSORPTION
CHIRAL MOLECULES
EXTENDED CHIRAL PHASES
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
title_short Footprint organization of chiral molecules on metallic surfaces
title_full Footprint organization of chiral molecules on metallic surfaces
title_fullStr Footprint organization of chiral molecules on metallic surfaces
title_full_unstemmed Footprint organization of chiral molecules on metallic surfaces
title_sort Footprint organization of chiral molecules on metallic surfaces
dc.creator.none.fl_str_mv Uñac, Rodolfo Omar
Gil Rabaza, A. V.
Vidales, Ana Maria
Zgrablich, Jorge Andres
author Uñac, Rodolfo Omar
author_facet Uñac, Rodolfo Omar
Gil Rabaza, A. V.
Vidales, Ana Maria
Zgrablich, Jorge Andres
author_role author
author2 Gil Rabaza, A. V.
Vidales, Ana Maria
Zgrablich, Jorge Andres
author2_role author
author
author
dc.subject.none.fl_str_mv ADSORPTION
CHIRAL MOLECULES
EXTENDED CHIRAL PHASES
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
topic ADSORPTION
CHIRAL MOLECULES
EXTENDED CHIRAL PHASES
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
description We study the behavior of chiral molecules adsorbed on clean metallic surfaces using a lattice-gas model and Monte Carlo simulation. The aim is to model and simulate the structure (footprints and organization) formed by molecules on the surface as they adsorb. The model, which is applicable to chiral species like S- and R-alanine, or similar, discloses the conditions to generate different ordered phases that have been observed in experiments by other authors. In our model, each enantiomer may adsorb in two different configurations (species) and several effects are taken into account: inhibition, blockage of neighboring adsorptive sites (steric effects) and promotion of sites representing, in some sense, modifications in the surface properties due to molecule-surface interactions. These adsorption rules are inspired by the enantiomeric character of adsorbed species. We perform a systematic study of the different phases formed in order to qualitatively understand the mechanism for the formation of adsorbate structures experimentally found by other authors.
publishDate 2007
dc.date.none.fl_str_mv 2007-10
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/11336/117237
Uñac, Rodolfo Omar; Gil Rabaza, A. V.; Vidales, Ana Maria; Zgrablich, Jorge Andres; Footprint organization of chiral molecules on metallic surfaces; Elsevier Science; Applied Surface Science; 254; 1; 10-2007; 125-130
0169-4332
CONICET Digital
CONICET
url http://hdl.handle.net/11336/117237
identifier_str_mv Uñac, Rodolfo Omar; Gil Rabaza, A. V.; Vidales, Ana Maria; Zgrablich, Jorge Andres; Footprint organization of chiral molecules on metallic surfaces; Elsevier Science; Applied Surface Science; 254; 1; 10-2007; 125-130
0169-4332
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2007.07.147
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0169433207009543
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
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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 15,812429

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