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|Title:||Electronic density of states and conduction properties of Type-II staggered copolymers of thiophene based donor-acceptor polymers|
Bakhshi, A K
|Abstract:||Using the ab initio band structure results of three thiophene based donor-acceptor polymers, PHTH (A)x, PFTH (B)x and PCNTH (C)x, the electronic density of states of their various periodic and aperiodic copolymers (Am Bn)x, (AmCn) x and (BmCn), belonging to the class of Type-II staggered have been determined in tight binding approximation. The unit cell of these donor acceptor polymers consists of bicyclopentadithiophene unit bridged by an electron accepting group >C=CH2 in PHTH (A)x, >C=CF2 in PFTH (B)x and >C=C(CN)2 in PCNTH (C)x. The trends obtained in the electronic structures and conduction properties of these copolymers as a function of block size, composition and the arrangement of blocks in the copolymer chains are discussed. The results are important guidelines for designing novel polymers with desired conduction properties.|
|Appears in Collections:|| IJC-A Vol.45A(02) [February 2006]|
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