Lookup NU author(s): Dr Alexandra Carvalho,
Dr Mark Rayson,
Professor Patrick Briddon
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The modification of the electronic structure of silicon nanocrystals using an organic dopant, 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F-4-TCNQ), is investigated using first-principles calculations. It is shown that physisorbed F-4-TCNQ molecules have the effect of oxidizing the nanocrystal, attracting the charge density towards the F-4-TCNQ-nanocrystal interface, and decreasing the excitation energy of the system. In periodic F-4-TCNQ/nanocrystal superlattices, F-4-TCNQ is suggested to enhance exciton separation, and in the presence of free holes, to serve as a bridge for electron/hole transfer between adjacent nanocrystals.
Author(s): Carvalho A, Oberg S, Rayson MJ, Briddon PR
Publication type: Article
Publication status: Published
Journal: Journal of Nanoscience and Nanotechnology
Print publication date: 01/02/2013
ISSN (print): 1533-4880
ISSN (electronic): 1533-4899
Publisher: American Scientific Publishers
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