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• W1965600371 abstract "A strategy for the systematic design of polymeric superlattices with tailor-made mini-bandgaps and carrier mini-effective masses is described and computationally implemented by means of an envelope crystalline-orbital method, which is a straightforward adaptation for molecules of the envelope-function approximation widely used in solid-state physics. Such strategy relies on the construction of pi-conjugated periodic block copolymers from well-characterized parent polymers, in such a way that the above-mentioned electronic parameters can be predicted from the lengths of the blocks. Illustrative calculations for prototypical (PPP_x-PDA_y)_n superlattices demonstrate the plausibility of the strategy and the advantages of the computational implementation employed." @default.
• W1965600371 created "2016-06-24" @default.
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• W1965600371 date "2010-07-20" @default.
• W1965600371 modified "2023-10-17" @default.
• W1965600371 title "Mini-bandstructure tailoring in π-conjugated periodic block copolymers using the envelope crystalline-orbital method" @default.
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• W1965600371 doi "https://doi.org/10.1002/qua.22715" @default.
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