BODIPY derivatives as n-type organic semiconductors: Isomer effect on carrier mobility

• Published in: Organic electronics Vol. 13; no. 2; pp. 215 - 221
• Main Authors: Zhang, Ming-Xing, Chai, Shuo, Zhao, Guang-Jiu
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.02.2012; Elsevier
• Subjects: Anisotropic behavior; Applied sciences; BODIPY; Carrier mobility; Electron transfer; Electronics; Exact sciences and technology; Isomer effect; Molecular electronics, nanoelectronics; Organic semiconductor; Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices; Isomer effect; Electron transfer; Anisotropic behavior; BODIPY; Carrier mobility; Organic semiconductor; High performance; Molecular structure; Isomerization; Charge carrier mobility; Crystalline material; Molecular electronics; Packing; n type semiconductor; Electron mobility; Organic semiconductors; Planar technology
• ISSN: 1566-1199; 1878-5530
• DOI: 10.1016/j.orgel.2011.10.015

[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.