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Adsorption of small NaCl clusters on surfaces of silicon nanostructures

Amsler, Maximilian and Ghasemi, S. Alireza and Goedecker, Stefan and Neelov, Alexey and Genovese, Luigi. (2009) Adsorption of small NaCl clusters on surfaces of silicon nanostructures. Nanotechnology, Vol. 20, H. 44 , 445301, 6 S..

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Official URL: http://edoc.unibas.ch/dok/A5251772

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Abstract

We have studied possible adsorption geometries of neutral NaCl clusters on the disordered surface of a large silicon model tip used in non-contact atomic force microscopy. The minima hopping method was used to determine low energy model tip configurations as well as ground state geometries of isolated NaCl clusters. The combined system was treated with density functional theory. Alkali halides have proven to be strong structure seekers and tend to form highly stable ground state configurations whenever possible. The favored adsorption geometry for four Na and four Cl atoms was found to be an adsorption of four NaCl dimers due to the formation of Cl-Si bonds. However, for larger NaCl clusters, the increasing energy required to dissociate the cluster into NaCl dimers suggests that adsorption of whole clusters in their isolated ground state configuration is preferred.
Faculties and Departments:05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker)
UniBasel Contributors:Goedecker, Stefan
Item Type:Article, refereed
Article Subtype:Research Article
Bibsysno:Link to catalogue
Publisher:IOP Publ.
ISSN:0957-4484
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:22 Mar 2012 14:27
Deposited On:22 Mar 2012 13:57

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