ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
Theoretical calculations for polaron-type defect structures on organic conjugated polymers are carried out by Green's function and transfer function formalism. Firstly, the renormalization concept is applied to mathematically convert the polymers PPP, PPY, and PTP to an equivalent (trans-PA)-like form. Then, it is shown that Green's functions and polaron wave functions are readily obtained from the equations for trans-PA by the appropriate substitution of the renormalized parameters. It is suggested that the existence of defects such as polarons or bipolarons could be invoked to provide a unified treatment of electric conduction in organic conjugated polymers.
Zusätzliches Material:
5 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560300111
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