Electronic structure of highly conducting conjugated polymers: evolution upon doping of polyacetylene, polythiophene, and polyemeraldine

1989 ◽  
Vol 188 (3-4) ◽  
pp. 393-427 ◽  
Author(s):  
S. Stafström ◽  
J.L. Brédas
Author(s):  
J. Fink

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.


1992 ◽  
Vol 247 ◽  
Author(s):  
Paul L. Burn ◽  
A. B. Holmes ◽  
A. Kraft ◽  
A. R. Brown ◽  
D. D. C. Bradley ◽  
...  

ABSTRACTStudies of the effect of different electrode combinations on the device characteristics of simple three layer light-emitting diodes (LEDs) prepared with poly(ρ-phenylenevinylene) (PPV) as the emissive layer sandwiched between two metal contacts have shown that it is generally more difficult to inject electrons than holes. In order to improve the efficiency of such devices it is, therefore, necessary to develop methods to enhance the injection of electrons and we illustrate here one example where we have successfully achieved this by the introduction of a further, electron transport, layer. The result is an eight fold increase in efficiency over our best three layer PPV devices. The efficiency is also dependent on the details of the polymer electronic structure and using a family of copolymers we have been able to produce enhancements in efficiency to values of up to 30 times that of the corresponding PPV devices. Variations in the polymer electronic structure also affect the colour of emission and the same family of copolymers allow control of emission colour from blue/green to orange/red. Supramolecular control of the copolymer electronic structure can be achieved by lithographic patterning and we show that it is possible to produce regions within a single polymer film that possess different π-π* energy gaps.


1997 ◽  
Vol 488 ◽  
Author(s):  
J. L. Bredas ◽  
J. Cornil ◽  
D. Beljonne ◽  
D. A. Dos Santos ◽  
Z. Shuaiv ◽  
...  

AbstractIn this contribution, we investigate by means of correlated quantum-chemical calculations the influence of intermolecular interactions on the absorption and emission properties of conjugated chains. Various strategies are suggested to avoid a substantial decrease in fluorescence quantum yield in condensed media. Finally, the reliability of our theoretical approach is validated by showing the remarkable agreement obtained between the experimental data and the calculated optical properties of clusters formed by sexithienyl molecules.


2001 ◽  
Vol 122 (1) ◽  
pp. 67-72 ◽  
Author(s):  
J. Birgerson ◽  
N. Johansson ◽  
A. Pohl ◽  
M. Lögdlund ◽  
Y. Tsukahara ◽  
...  

1990 ◽  
Vol 209 ◽  
Author(s):  
Steven M. Risser ◽  
Kim F. Ferris

The extent of the delocalized π electron network is of prime importance in determining hyperpolarizabilities of conjugated molecules. Thus, for conjugated polymers, disruptions to this continuous order such as structural and/or conformational defects may have a large influence on the hyperpolarizabilities. We have performed semiempirical electronic structure calculations for a series of model compounds such as polyenes and polyphosphazenes to determine the effects of structural and conformational defects on the hyperpolarizabilities. Briefly, we find that structural and conjugational defects enhance the hyperpolarizabilities of polyenes, but have little influence on polyphosphazenes due to their limited π delocalization.


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