Anisotropic mobilities with different packing motifs of the thin films of fused-selenophenes measuring from the SCLC method

In this article, we attempt to establish a correlation between the structural property of three polycyclic arene-fused selenophenes with different crystal packing such as naphthoselenophene (Nap-Se), phenanthr oselenophene (Phe-Se), and naphtho-bis(selenophene) (Nap-Se2) and their mobility measured via the space charge limited current (SCLC) method. The energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the fused selenophenes was a governing factor of their hole mobilities. We also correlate their theoretically calculated anisotropic mobility to obtain some initial idea about their performance as a donor in solar cell devices. The naphtho-bis(selenophene) (Nap-Se2) exhibit the highest mobility by maintaining superiority with all the factors.

Automated summary

In this article, the correlation between the structural properties of three polycyclic arene-fused selenophenes with different crystal packing and their mobility was investigated. The energy gap between HOMO and LUMO was found to be a determining factor for their hole mobilities. The theoretically calculated anisotropic mobility was also correlated to evaluate their performance as a donor in solar cell devices. It was found that Nap-Se2 exhibited the highest mobility among the three selenophenes.