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Theoretical Study of Charge-Transfer Properties of the π-Stacked Poly(1,1-silafluorene)s

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journal contribution
posted on 04.08.2011, 00:00 by Jun Yin, Run-Feng Chen, Sheng-Lan Zhang, Huan-Huan Li, Guang-Wei Zhang, Xiao-Miao Feng, Qi-Dan Ling, Wei Huang
The charge-transport properties of the π-stacked poly(1,1-silafluorene)s were investigated theoretically via hopping mechanism described by the Marcus theory. The π-stacked silafluorene substituent and the σ-conjugated Si–Si backbone offer poly(1,1-silafluorene)s with two channels for charge transfer, rendering them as excellent n-type semiconductors with about 1 order of magnitude higher hole and electron mobilities than that of poly(dibenzofulvene)s. The supraconjugated silafluorene-based materials with high charge mobilities show their great potential for device fabrications in advanced organoelectronics.