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Increased Electronic Coupling in Silicon Nanocrystal Networks Doped with F4-TCNQ

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.

Publication metadata

Author(s): Carvalho A, Oberg S, Rayson MJ, Briddon PR

Publication type: Article

Publication status: Published

Journal: Journal of Nanoscience and Nanotechnology

Year: 2013

Volume: 13

Issue: 2

Pages: 1035-1038

Print publication date: 01/02/2013

ISSN (print): 1533-4880

ISSN (electronic): 1533-4899

Publisher: American Scientific Publishers


DOI: 10.1166/jnn.2013.6129


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Funder referenceFunder name
Calouste Gulbenkian Foundation
FCT Portugal
REG/REA.P1(2010)D/22847Marie Curie Program