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Increased electronic coupling in silicon nanocrystal networks doped with F4-TCNQ
Department of Physics, I3N, University of Aveiro, Campus Santiago.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
2013 (English)In: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 13, no 2, p. 1035-1038Article in journal (Refereed) Published
Abstract [en]

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 F4-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 F4-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.

Place, publisher, year, edition, pages
2013. Vol. 13, no 2, p. 1035-1038
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-7875DOI: 10.1166/jnn.2013.6129ISI: 000318254500062Scopus ID: 2-s2.0-84876242908Local ID: 64c8a3c1-b090-4c1b-b9d6-089d41f0ba70OAI: oai:DiVA.org:ltu-7875DiVA, id: diva2:980765
Note
Validerad; 2013; 20130430 (andbra)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

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Öberg, SvenRayson, Mark

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