轨道能级差
午睡
电子迁移率
各向异性
化学
材料科学
结晶学
光电子学
纳米技术
分子
光学
物理
有机化学
神经科学
生物
作者
Himadri Shekhar Karmakar,Sarasija Das,Chandan Kumar,Sanjio S. Zade
标识
DOI:10.1016/j.orgel.2022.106630
摘要
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), phenanthroselenophene (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.
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