AI Article Synopsis
- The study explored how oligothiophenes (nTs) and oligopyrroles (nPs) can be used as organic semiconductors, looking at their charge-transport properties through quantum chemistry and Marcus-Hush theory.
- The findings revealed that oligopyrroles (nPs) have comparable or better hole mobilities than oligothiophenes (nTs) and that their vertical ionization potentials are significantly lower.
- This suggests that nPs could be viable p-type semiconductors, while nTs demonstrate much higher electron mobility, making them strong candidates for n-type semiconductor applications.
Article Abstract
Based on quantum chemistry calculations combined with the Marcus-Hush electron transfer theory, we investigated the charge-transport properties of oligothiophenes (nTs) and oligopyrroles (nPs) (n=6, 7, 8) as potential p- or n-type organic semiconductor materials. The results of our calculations indicate that 1) the nPs show intrinsic hole mobilities as high as or even higher than those of nTs, and 2) the vertical ionization potentials (VIPs) of the nPs are about 0.6-0.7 eV smaller than the corresponding VIPs of the nTs. Based on their charge-transport ability and hole-injection efficiency, the nPs have potential as p-type organic semiconducting materials. Furthermore, it was also found that the maximum values of the electron-transfer mobility for the nTs are larger by one-to-two orders of magnitude than the corresponding maximum values of hole-transfer mobility, which suggests that the nTs have the potential to be developed as promising n-type organic semiconducting materials owing to their electron mobility.
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| http://dx.doi.org/10.1002/cphc.201300085 | DOI Listing |
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