Effect of Electronically Distinct Aromatic Substituents
on the Molecular Assembly and Hole Transport of V‑Shaped Organic
Semiconductors
Posted on 2020-07-21 - 20:47
Bent-shaped
p-type organic semiconductors (OSCs) have demonstrated
high hole-carrier mobilities and thermal durability for practical
electronic applications, among which, the V-shaped thieno[3,2-f:4,5-f’]bis[1]benzothiophene (TBBT–V) π-electron core shows excellent electronic
features for hole transports, and the fused terminal thiophene units
allow facile substitution with various substituents for fine-tuning
OSC properties. Herein, we investigate the effect of TBBT–V functionalized with three electronically distinct aromatic substituents
(phenyl, thienyl, and thiazolyl) on their molecular assemblies and
charge-transporting capabilities. The phenyl-substituted TBBT–V (Ph–TBBT–V) forms the herringbone packing
motif, with effective calculated intermolecular orbital overlaps and
two-dimensional-like charge transport. On the other hand, poor charge-transporting
capabilities are estimated for thienyl- and thiazolyl-substituted TBBT–V. As a result, Ph–TBBT–V, with the best estimated charge-transporting capability, exhibits
an excellent air-stable hole mobility up to 6.5 cm2 V–1 s–1, whereas the other two derivatives
show orders of lower mobilities, which are in good agreement with
our theoretical estimations.
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Yu, Craig
P.; Mitani, Masato; Ishii, Hiroyuki; Yamagishi, Masakazu; Kitamura, Hiroki; Yano, Masafumi; et al. (1753). Effect of Electronically Distinct Aromatic Substituents
on the Molecular Assembly and Hole Transport of V‑Shaped Organic
Semiconductors. ACS Publications. Collection. https://doi.org/10.1021/acs.jpcc.0c04088
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AUTHORS (8)
CY
Craig
P. Yu
MM
Masato Mitani
HI
Hiroyuki Ishii
MY
Masakazu Yamagishi
HK
Hiroki Kitamura
MY
Masafumi Yano
JT
Jun Takeya
TO
Toshihiro Okamoto