Experimental and theoretical study of the charge transport property of 4,4′-N,N′-dicarbazole-biphenyl  

作　　者：LI HaoYuan CHEN Liang QIAO Juan DUAN Lian ZHANG DeQiang DONG GuiFang WANG LiDuo QIU Yong 

机构地区：[1]Key Laboratory of Organic Optoelectronics&Molecular Engineering of Ministry of Education,Department of Chemistry,Tsinghua University,Beijing 100084,China

出　　处：《Science China Chemistry》2012年第11期2428-2432,共5页中国科学（化学英文版）

基　　金：supported by the National Key Basic Research and Development Program of China (2009CB623604);the National Natural Science Foundation of China (50990060, 51073809 and 21161160447)

摘　　要：The hole and electron mobilities of the amorphous films of the organic semiconductor 4,4′-N,N′-dicarbazole-biphenyl (CBP) at different electric fields were measured through the time of flight (TOF) method. Based on its crystalline structure, the hole and electron mobilities of CBP were calculated. A detailed comparison between experimental and theoretical results is necessary for further understanding its charge transport properties. In order to do this, charge mobilities at zero electric field, μ(0), were deduced from experimental data as a link between experimental and theoretical data. It was found that the electron transport of CBP is less affected by traps compared with its hole transport. This unusual phenomenon can be understood through the distributions of frontier molecular orbitals. We showed that designing materials with frontier molecular orbitals localized at the center of the molecule has the potency to reduce the influence of traps on charge transport and provide new insights into designing high mobility charge transport materials.The hole and electron mobilities of the amorphous films of the organic semiconductor 4,4＇-N,N＇-dicarbazole-biphenyl （CBP） at different electric fields were measured through the time of flight （TOF） method. Based on its crystalline structure, the hole and electron mobilities of CBP were calculated. A detailed comparison between experimental and theoretical results is necessary for further understanding its charge transport properties. In order to do this, charge mobilities at zero electric field,μ（0）, were deduced from experimental data as a link between experimental and theoretical data. It was found that the electron transport of CBP is less affected by traps compared with its hole transport. This unusual phenomenon can be understood through the distributions of frontier molecular orbitals. We showed that designing materials with frontier molecular orbitals localized at the center of the molecule has the potency to reduce the influence of traps on charge transport and provide new insights into designing high mobility charge transport materials.

关 键 词：CBP organic semiconductors charge mobility time of flight method quantum chemical calculation electron transport 

分 类 号：TN304.5[电子电信—物理电子学]