Chem. J. Chinese Universities ›› 1991, Vol. 12 ›› Issue (8): 1087.
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Wang Rong-shun, Zhang Jing-ping
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Abstract: In order to study the conduction mechanism of ladder polyphenothiazine(PTL), the electronic energy bands of the eigenstate PTLand doped PTLhave been calculated. In the calculation the polymers are treated as quasi-one-dimensional systems. Th?method of EHMO/CO is used. The results of the energy bands near the fermi level and the net charge density of each models are given. It is sug-estted that for the eigenstate PTLneutral solitons are probably the dominant charge carriers, for pron-tonic acid dopant charge solitons or polarons are the most likely contributors to the conductivity., for p-type doping polarons are the dominant charge carriers. It can be prejudged that the higher conductivity of PTLcan be reached by the means of doubte doping.
Key words: Ladder polymer, Polyphenothiazine, Conduction mechanism, EHMO/CO, Energy bands
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Wang Rong-shun, Zhang Jing-ping . Studies on Conduction Mechanism of Ladder Polyphenothiazine[J]. Chem. J. Chinese Universities, 1991, 12(8): 1087.
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http://www.cjcu.jlu.edu.cn/EN/Y1991/V12/I8/1087