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- W2091766475 abstract "A b initio band structure results of polyfuran (PFU) and polythiophene (PTP) obtained with a double zeta basis set are reported. The electronic density of states (DOS) of the various quasi-one-dimensional copolymers (superlattices) of the type (AmBn)x (A=furan; B=thiophene) have been calculated numerically within the ab initio self-consistent field (SCF) tight binding approximation. These copolymers on the basis of the band positions of PFU and PTP are found to belong to the class of type I superlattices. The trends in their electronic structure and conduction properties as a function of (i) composition (m/n); (ii) block sizes m and n; and (iii) arrangement of the blocks in the copolymer chain are discussed." @default.
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- W2091766475 date "1992-02-01" @default.
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- W2091766475 title "<i>A</i><i>b</i> <i>i</i><i>n</i><i>i</i><i>t</i><i>i</i><i>o</i> study of the electronic structure of polymeric quasi‐one‐dimensional superlattices of furan and thiophene" @default.
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- W2091766475 doi "https://doi.org/10.1063/1.462030" @default.
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