Dopamine adsorption configurations on anatase (101) surface

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Campo DC	Valor	Lengua/Idioma
dc.contributor.author	Stashans, A.	es_ES
dc.contributor.author	Castillo Malla, D.	es_ES
dc.contributor.author	Marcillo, F.	es_ES
dc.date.accessioned	2017-06-16T22:02:47Z	-
dc.date.available	2017-06-16T22:02:47Z	-
dc.date.issued	2015-01-01	es_ES
dc.date.submitted	07/05/2015	es_ES
dc.identifier	10.1142/S0218625X15500523	es_ES
dc.identifier.isbn	0218625X	es_ES
dc.identifier.other	10.1142/S0218625X15500523	es_ES
dc.identifier.uri	http://dspace.utpl.edu.ec/handle/123456789/19010	-
dc.description.abstract	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.	es_ES
dc.subject	adsorption	es_ES
dc.title	Dopamine adsorption configurations on anatase (101) surface	es_ES
dc.type	Article	es_ES
dc.publisher	Surface Review and Letters	es_ES
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