Increased electronic coupling in silicon nanocrystal networks doped with F4-TCNQ

Carvalho, Alexandra T.G.Department of Physics, I3N, University of Aveiro, Campus Santiago (författare)

Validerad; 2013; 20130430 (andbra)
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.

Öberg, SvenLuleå tekniska universitet,Matematiska vetenskaper(Swepub:ltu)oberg (författare)
Rayson, MarkLuleå tekniska universitet,Matematiska vetenskaper(Swepub:ltu)rayson (författare)
Briddon, Patrick R.School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne (författare)
Department of Physics, I3N, University of Aveiro, Campus SantiagoMatematiska vetenskaper (creator_code:org_t)

Ingår i:Journal of Nanoscience and Nanotechnology: American Scientific Publishers13:2, s. 1035-10381533-48801533-4899

Av författaren/redakt...: Carvalho, Alexan ...; Öberg, Sven; Rayson, Mark; Briddon, Patrick ...

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