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Electronic structure and conduction properties of copolymers of silole based donor–acceptor polymers: effect of multi-neighbour interaction

✍ Scribed by Geetika Gandhi; A.K. Bakhshi

Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
170 KB
Volume
128
Category
Article
ISSN
0038-1098

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✦ Synopsis

Using the ab initio band structure results of two novel silole based donor -acceptor polymers PSICF (A) x and PSICN (B) x , the electronic structures and conduction properties of their various quasi-one-dimensional superlattices (copolymers) (A m B n ) x , belonging to the class of type-II staggered superlattices, have been investigated using negative factor counting method taking into account multi-neighbour interaction. Both PSICF and PSICN consist of a bicyclopentadisilole unit bridged by an electronaccepting group Y (Y ¼ sCyCF 2 in PSICF and Y ¼ sCyC(CN) 2 in PSICN). The trends in the electronic structures and conduction properties of these copolymers (A m B n ) x as a function of the (i) block sizes m and n; (ii) composition ðm=nÞ and (iii) arrangement of blocks (periodic or aperiodic) in the copolymer chain are discussed. The results obtained are important guidelines for designing copolymers with tailor-made conduction properties.

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