BODIPY derivatives as n-type organic semiconductors: Isomer effect on carrier mobility
[Display omitted] ► Isomer effect on carrier mobility of two BODIPY derivatives is studied. ► We calculate the carrier mobility by the Marcus-Hush theory. ► Mobility of two crystals shows remarkable anisotropic behavior. ► We find isomer effect plays significant role on the mobility. ► Better planar...
Saved in:
Published in | Organic electronics Vol. 13; no. 2; pp. 215 - 221 |
---|---|
Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
Amsterdam
Elsevier B.V
01.02.2012
Elsevier |
Subjects | |
Online Access | Get full text |
Cover
Loading…
Summary: | [Display omitted]
► Isomer effect on carrier mobility of two BODIPY derivatives is studied. ► We calculate the carrier mobility by the Marcus-Hush theory. ► Mobility of two crystals shows remarkable anisotropic behavior. ► We find isomer effect plays significant role on the mobility. ► Better planar structure enhances carrier mobility of isomers.
In the present work, two dipyrro-boradiazaindacenes (BODIPY) derivatives functioning as novel high-performance organic semiconductors are investigated by theoretical method. These two isomeric complexes are demonstrated to have large electron-transfer mobility, which means they are favor to be n-type organic semiconductors. The highest electron-transfer mobility appears at the same packing style in two crystals. The intermolecular distances of the packing style are nearly same, 4.994
Å in crystal 1 and 5.283
Å in crystal 2. However, their electron-transfer mobility changes significantly. The mobility of crystal 2 with better planar molecular structure is 0.291
cm
2
V
−1
s
−1, which is 13 times larger than that of crystal 1 as 0.022
cm
2
V
−1
s
−1. The significant difference of carrier mobility is ascribed to the little structural difference of these two isomers. It has been demonstrated that both crystal 1 and 2 show remarkable anisotropic behavior. This study will undoubtedly provide a new understanding of isomerization on designing novel organic semiconductors. |
---|---|
ISSN: | 1566-1199 1878-5530 |
DOI: | 10.1016/j.orgel.2011.10.015 |