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- W2013014137 abstract "The energy band structures of silicon containing polymers with unsaturated bonds such as polysilene (PS), polysemisilene (PSS), polysilacene (PSA) and polysemisilacene (PSSA) have been calculated on the basis of ab initio crystal orbital method using double-zeta basis set. All the silicon containing polymers are found to be less insulating than trans-polyacetylene. The calculated trend in the band gap values is PSA < PS < PSSA < PSS. Our results predict PS to be the strongest candidate for p-doping whereas PSA is predicted to have the greatest capacity for n-doping." @default.
- W2013014137 created "2016-06-24" @default.
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- W2013014137 date "1993-11-01" @default.
- W2013014137 modified "2023-09-28" @default.
- W2013014137 title "Ab initio calculations on silicon containing conjugated polymers" @default.
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- W2013014137 doi "https://doi.org/10.1016/0038-1098(93)90233-d" @default.
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