Dopamine adsorption configurations on anatase (101) surface
Present work is based on the density functional theory (DFT) and generalized gradient approximation studies. Different adsorption geometries of dopamine, C8H11O2N, on the anatase (101) surface have been considered and carefully investigated. Bidentate chelating configuration with two molecular oxyge...
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| Format: | article |
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2015
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| Online Access: | http://dspace.utpl.edu.ec/handle/123456789/19010 |
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| author | Stashans, A. |
| author2 | Castillo Malla, D. Marcillo, F. |
| author2_role | author author |
| author_facet | Stashans, A. Castillo Malla, D. Marcillo, F. |
| author_role | author |
| collection | Repositorio Universidad Técnica Particular de Loja |
| dc.creator.none.fl_str_mv | Stashans, A. Castillo Malla, D. Marcillo, F. |
| dc.date.none.fl_str_mv | 07/05/2015 2015-01-01 2017-06-16T22:02:47Z 2017-06-16T22:02:47Z |
| dc.identifier.none.fl_str_mv | 10.1142/S0218625X15500523 0218625X 10.1142/S0218625X15500523 http://dspace.utpl.edu.ec/handle/123456789/19010 |
| dc.publisher.none.fl_str_mv | Surface Review and Letters |
| dc.rights.none.fl_str_mv | info:eu-repo/semantics/openAccess |
| dc.source.none.fl_str_mv | reponame:Repositorio Universidad Técnica Particular de Loja instname:Universidad Técnica Particular de Loja instacron:UTPL |
| dc.subject.none.fl_str_mv | adsorption |
| dc.title.none.fl_str_mv | Dopamine adsorption configurations on anatase (101) surface |
| dc.type.none.fl_str_mv | info:eu-repo/semantics/publishedVersion info:eu-repo/semantics/article |
| description | Present work is based on the density functional theory (DFT) and generalized gradient approximation studies. Different adsorption geometries of dopamine, C8H11O2N, on the anatase (101) surface have been considered and carefully investigated. Bidentate chelating configuration with two molecular oxygens binding to the same surface titanium has been found to be the equilibrium case. The Ti-O distances for this configuration are obtained to be equal to 2.23 and 2.37 �, respectively. © 2015 World Scientific Publishing Company. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | UTPL_d3a5c16f150c1946a63edfee330507c7 |
| identifier_str_mv | 10.1142/S0218625X15500523 0218625X |
| instacron_str | UTPL |
| institution | UTPL |
| instname_str | Universidad Técnica Particular de Loja |
| network_acronym_str | UTPL |
| network_name_str | Repositorio Universidad Técnica Particular de Loja |
| oai_identifier_str | oai:dspace.utpl.edu.ec:123456789/19010 |
| publishDate | 2015 |
| publisher.none.fl_str_mv | Surface Review and Letters |
| reponame_str | Repositorio Universidad Técnica Particular de Loja |
| repository.mail.fl_str_mv | . |
| repository.name.fl_str_mv | Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Loja |
| repository_id_str | 1227 |
| spelling | Dopamine adsorption configurations on anatase (101) surfaceStashans, A.Castillo Malla, D.Marcillo, F.adsorptionPresent work is based on the density functional theory (DFT) and generalized gradient approximation studies. Different adsorption geometries of dopamine, C8H11O2N, on the anatase (101) surface have been considered and carefully investigated. Bidentate chelating configuration with two molecular oxygens binding to the same surface titanium has been found to be the equilibrium case. The Ti-O distances for this configuration are obtained to be equal to 2.23 and 2.37 �, respectively. © 2015 World Scientific Publishing Company.Surface Review and Letters2017-06-16T22:02:47Z2017-06-16T22:02:47Z2015-01-0107/05/2015info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10.1142/S0218625X155005230218625X10.1142/S0218625X15500523http://dspace.utpl.edu.ec/handle/123456789/19010info:eu-repo/semantics/openAccessreponame:Repositorio Universidad Técnica Particular de Lojainstname:Universidad Técnica Particular de Lojainstacron:UTPL2017-06-16T22:02:47Zoai:dspace.utpl.edu.ec:123456789/19010Institucionalhttps://dspace.utpl.edu.ec/Institución privadahttps://www.utpl.edu.ec/https://dspace.utpl.edu.ec/oai.Ecuador...opendoar:12272017-06-16T22:02:47Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Lojafalse |
| spellingShingle | Dopamine adsorption configurations on anatase (101) surface Stashans, A. adsorption |
| status_str | publishedVersion |
| title | Dopamine adsorption configurations on anatase (101) surface |
| title_full | Dopamine adsorption configurations on anatase (101) surface |
| title_fullStr | Dopamine adsorption configurations on anatase (101) surface |
| title_full_unstemmed | Dopamine adsorption configurations on anatase (101) surface |
| title_short | Dopamine adsorption configurations on anatase (101) surface |
| title_sort | Dopamine adsorption configurations on anatase (101) surface |
| topic | adsorption |
| url | http://dspace.utpl.edu.ec/handle/123456789/19010 |