title: Increased electronic coupling in silicon nanocrystal networks doped with F4-TCNQ.
abstract: The modification of the electronic structure of silicon nanocrystals using an organic dopant, 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-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 F4-TCNQ-nanocrystal interface, and decreasing the excitation energy of the system. In periodic F4-TCNQ/nanocrystal superlattices, F4-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.
authors: Department of Physics, 13N, University of Aveiro, 3810-193 Aveiro, Portugal.
authors: Alexandra
authors: A
authors: Carvalho
authors: Sven
authors: S
authors: Oberg
authors: Mark J
authors: MJ
authors: Rayson
authors: Patrick R
authors: PR
authors: Briddon