Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation
- Autores
- Uñac, Rodolfo Omar; Vidales, Ana Maria; Zgrablich, Jorge Andres
- Año de publicación
- 2009
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The purpose of the present work was to study the effect of the adsorbate-adsorbate interaction energy for the glycine/Cu(110) system using a Monte Carlo simulation in the grand canonical ensemble. The dependence of the surface pattern structures upon the temperature and diffusion rate was studied. For either reversible or irreversible adsorption, the results showed that it is possible to obtain condensed phases with a large degree of correlation for high diffusion rates and temperatures. Depending on the set of interaction energies for nearest-and next-nearest-neighbour molecules, these patterns form either hetero-or homo-chiral footprint domains.The results obtained are qualitatively consistent with the experimental pattern observed by other authors and allow an interpretation of the different proposed theoretical models used to explain experimental data.
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"; Argentina
Fil: 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"; Argentina
Fil: 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"; Argentina - Materia
-
MONTE CARLO
ADSORPTION
GLYCINE - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/117235
Ver los metadatos del registro completo
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Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulationUñac, Rodolfo OmarVidales, Ana MariaZgrablich, Jorge AndresMONTE CARLOADSORPTIONGLYCINEhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The purpose of the present work was to study the effect of the adsorbate-adsorbate interaction energy for the glycine/Cu(110) system using a Monte Carlo simulation in the grand canonical ensemble. The dependence of the surface pattern structures upon the temperature and diffusion rate was studied. For either reversible or irreversible adsorption, the results showed that it is possible to obtain condensed phases with a large degree of correlation for high diffusion rates and temperatures. Depending on the set of interaction energies for nearest-and next-nearest-neighbour molecules, these patterns form either hetero-or homo-chiral footprint domains.The results obtained are qualitatively consistent with the experimental pattern observed by other authors and allow an interpretation of the different proposed theoretical models used to explain experimental data.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: 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"; ArgentinaMulti-Science Publishing2009-09info: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/11336/117235Uñac, Rodolfo Omar; Vidales, Ana Maria; Zgrablich, Jorge Andres; Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation; Multi-Science Publishing; Adsorption Science & Technology; 27; 7; 9-2009; 633-6420263-6174CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1260/0263-6174.27.7.633info:eu-repo/semantics/altIdentifier/url/https://journals.sagepub.com/doi/10.1260/0263-6174.27.7.633info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:35:24Zoai:ri.conicet.gov.ar:11336/117235instacron: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 09:35:25.265CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation |
title |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation |
spellingShingle |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation Uñac, Rodolfo Omar MONTE CARLO ADSORPTION GLYCINE |
title_short |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation |
title_full |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation |
title_fullStr |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation |
title_full_unstemmed |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation |
title_sort |
Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation |
dc.creator.none.fl_str_mv |
Uñac, Rodolfo Omar Vidales, Ana Maria Zgrablich, Jorge Andres |
author |
Uñac, Rodolfo Omar |
author_facet |
Uñac, Rodolfo Omar Vidales, Ana Maria Zgrablich, Jorge Andres |
author_role |
author |
author2 |
Vidales, Ana Maria Zgrablich, Jorge Andres |
author2_role |
author author |
dc.subject.none.fl_str_mv |
MONTE CARLO ADSORPTION GLYCINE |
topic |
MONTE CARLO ADSORPTION GLYCINE |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
The purpose of the present work was to study the effect of the adsorbate-adsorbate interaction energy for the glycine/Cu(110) system using a Monte Carlo simulation in the grand canonical ensemble. The dependence of the surface pattern structures upon the temperature and diffusion rate was studied. For either reversible or irreversible adsorption, the results showed that it is possible to obtain condensed phases with a large degree of correlation for high diffusion rates and temperatures. Depending on the set of interaction energies for nearest-and next-nearest-neighbour molecules, these patterns form either hetero-or homo-chiral footprint domains.The results obtained are qualitatively consistent with the experimental pattern observed by other authors and allow an interpretation of the different proposed theoretical models used to explain experimental data. 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"; Argentina Fil: 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"; Argentina Fil: 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"; Argentina |
description |
The purpose of the present work was to study the effect of the adsorbate-adsorbate interaction energy for the glycine/Cu(110) system using a Monte Carlo simulation in the grand canonical ensemble. The dependence of the surface pattern structures upon the temperature and diffusion rate was studied. For either reversible or irreversible adsorption, the results showed that it is possible to obtain condensed phases with a large degree of correlation for high diffusion rates and temperatures. Depending on the set of interaction energies for nearest-and next-nearest-neighbour molecules, these patterns form either hetero-or homo-chiral footprint domains.The results obtained are qualitatively consistent with the experimental pattern observed by other authors and allow an interpretation of the different proposed theoretical models used to explain experimental data. |
publishDate |
2009 |
dc.date.none.fl_str_mv |
2009-09 |
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/11336/117235 Uñac, Rodolfo Omar; Vidales, Ana Maria; Zgrablich, Jorge Andres; Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation; Multi-Science Publishing; Adsorption Science & Technology; 27; 7; 9-2009; 633-642 0263-6174 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/117235 |
identifier_str_mv |
Uñac, Rodolfo Omar; Vidales, Ana Maria; Zgrablich, Jorge Andres; Effect of interaction energies on the adsorption of glycine onto a Cu(110) surface: A monte carlo simulation; Multi-Science Publishing; Adsorption Science & Technology; 27; 7; 9-2009; 633-642 0263-6174 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1260/0263-6174.27.7.633 info:eu-repo/semantics/altIdentifier/url/https://journals.sagepub.com/doi/10.1260/0263-6174.27.7.633 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
Multi-Science Publishing |
publisher.none.fl_str_mv |
Multi-Science Publishing |
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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1844613103532113920 |
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13.070432 |