Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/51191
Title: Influence of donor and acceptor substituents on the electronic characteristics of poly(fluorene-phenylene)
Authors: Zeng, G.
Chua, S.-J. 
Huang, W. 
Keywords: Electronic properties
Polyfluorene
Polymeric light-emitting devices
Semiempirical methods
Issue Date: 30-Sep-2002
Citation: Zeng, G., Chua, S.-J., Huang, W. (2002-09-30). Influence of donor and acceptor substituents on the electronic characteristics of poly(fluorene-phenylene). Thin Solid Films 417 (1-2) : 194-197. ScholarBank@NUS Repository.
Abstract: We investigate theoretically the influence of electron acceptors such as cyano groups and donors such as methoxy and amino groups on the geometric and electronic properties of the poly(9,9-dihexylfluorene-1,4-phenylene) unit cell. The trends derived from quantum chemistry calculations fully represent the properties observed at the scale of long polymer chains. It is shown that sizable effects can be obtained. In particular, the use of diamino or dicyano substituents on the phenylene ring allows the bandgaps to decrease significantly. This information is of prime importance in the design of new chemical structures aimed at a fine-tuning of the emitted color and at a significant improvement in quantum efficiency. © 2002 Elsevier Science B.V. All rights reserved.
Source Title: Thin Solid Films
URI: http://scholarbank.nus.edu.sg/handle/10635/51191
ISSN: 00406090
Appears in Collections:Staff Publications

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