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We report the effect of the thiophene chain extension on optical property and hole mobility of a set of 3,4,5-tetra[4,4′-bis(methoxyphenyl)aminophen-4″-yl]-thiophene (H111) derivatives (H112, H113, H114, and H115) by using first-principles calculations combined with Marcus theory. Our results show that extension of the thiophene chain not only brings a red-shift on the absorption spectrum, but also...
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