The Origin of the Improved Efficiency and Stability of Triphenylamine‐Substituted Anthracene Derivatives for OLEDs: A Theoretical Investigation
作者： Bing Yang , Soo-Kang Kim , Hai Xu , Young-Il Park , Houyu Zhang
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摘要: Herein, we describe the molecular electronic structure, optical, and charge-transport properties of anthracene derivatives computationally using density functional theory to understand factors responsible for improved efficiency stability organic light-emitting diodes (OLEDs) with triphenylamine (TPA)-substituted derivatives. The high performance OLEDs TPA-substituted is revealed derive from three original features in comparison aryl-substituted derivatives: 1) HOMO LUMO are localized separately on TPA moieties, respectively, which leads better due more stable cation under a hole majority-carrier environment; 2) balanceable electron transport together easier injection larger rate hole-electron recombination, corresponds higher electroluminescence efficiency; 3) increasing reorganization energy both level provide potential well trapping, then trapped holes induce built-in electric field prompt balance charge-carrier injection.
sci-hub.se 参考文章(124)
P.-I Shih, C.-Y. Chuang, C.-H. Chien, E. W.-G. Diau, C.-F. Shu, Highly Efficient Non-Doped Blue-Light-Emitting Diodes Based on an Anthrancene Derivative End-Capped with Tetraphenylethylene Groups† Advanced Functional Materials. ,vol. 17, pp. 3141- 3146 ,(2007) , 10.1002/ADFM.200700355
Meng-Huan Ho, Yao-Shan Wu, Shih-Wen Wen, Meng-Ting Lee, Teng-Ming Chen, Chin H. Chen, Kwong-Chau Kwok, Shu-Kong So, Kai-Tai Yeung, Yuen-Kit Cheng, Zhi-Qiang Gao, Highly efficient deep blue organic electroluminescent device based on 1-methyl-9,10-di(1-naphthyl)anthracene Applied Physics Letters. ,vol. 89, pp. 252903- ,(2006) , 10.1063/1.2409367
R. R. Nelson, R. N. Adams, Anodic oxidation pathways of substituted triphenylamines. II. Quantitative studies of benzidine formation Journal of the American Chemical Society. ,vol. 90, pp. 3925- 3930 ,(1968) , 10.1021/JA01017A004
Jérôme Cornil, David Beljonne, J‐P Calbert, J‐L Brédas, None, Interchain Interactions in Organic π‐Conjugated Materials: Impact on Electronic Structure, Optical Response, and Charge Transport Advanced Materials. ,vol. 13, pp. 1053- 1067 ,(2001) , 10.1002/1521-4095(200107)13:14<1053::AID-ADMA1053>3.0.CO;2-7
Ming-Xin Yu, Jiun-Pey Duan, Chien-Hong Lin, Chien-Hong Cheng, Yu-Tai Tao, Diaminoanthracene derivatives as high-performance green host electroluminescent materials Chemistry of Materials. ,vol. 14, pp. 3958- 3963 ,(2002) , 10.1021/CM020414M
Kenneth B. Wiberg, R.Eric Stratmann, Michael J. Frisch, A time-dependent density functional theory study of the electronically excited states of formaldehyde, acetaldehyde and acetone Chemical Physics Letters. ,vol. 297, pp. 60- 64 ,(1998) , 10.1016/S0009-2614(98)01119-1
Tswen-Hsin Liu, Yao-Shan Wu, Meng-Ting Lee, Hsian-Hung Chen, Chi-Hung Liao, Chin H. Chen, Highly efficient yellow and white organic electroluminescent devices doped with 2,8-di(t-butyl)-5,11-di[4-(t-butyl)phenyl]-6,12-diphenylnaphthacene Applied Physics Letters. ,vol. 85, pp. 4304- 4306 ,(2004) , 10.1063/1.1803911
Chihaya Adachi, Marc A. Baldo, Mark E. Thompson, Stephen R. Forrest, Nearly 100% internal phosphorescence efficiency in an organic light-emitting device Journal of Applied Physics. ,vol. 90, pp. 5048- 5051 ,(2001) , 10.1063/1.1409582
Jérôme Cornil, Vincent Lemaur, J‐P Calbert, J‐L Brédas, None, Charge Transport in Discotic Liquid Crystals: A Molecular Scale Description Advanced Materials. ,vol. 14, pp. 726- 729 ,(2002) , 10.1002/1521-4095(20020517)14:10<726::AID-ADMA726>3.0.CO;2-D
Bo Chao Lin, Cheu P. Cheng, Zhi-Qiang You, Chao-Ping Hsu, Charge transport properties of tris(8-hydroxyquinolinato)aluminum(III): why it is an electron transporter. Journal of the American Chemical Society. ,vol. 127, pp. 66- 67 ,(2005) , 10.1021/JA045087T