Citation: SUN Guan-Nan, XU Hai, LIU Xiao-Dong, LIU Dan-Dan, YANG Bing, TIAN Lei-Lei, MA Yu-Guang. Carrier Injection Property of Fluorene-Aromatic Nitrogen Heterocycle Copolymers[J]. Acta Physico-Chimica Sinica, ;2010, 26(09): 2529-2534. doi: 10.3866/PKU.WHXB20100831 shu

Carrier Injection Property of Fluorene-Aromatic Nitrogen Heterocycle Copolymers

SUN Guan-Nan ¹ ,
XU Hai ^1,2 ,
LIU Xiao-Dong ² ,
LIU Dan-Dan ¹ ,
YANG Bing ^1,2, ,
TIAN Lei-Lei ¹ ,
MA Yu-Guang ^1,

1.
1. State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, P. R. China;
2. College of Chemistry, Jilin University, Changchun 130012, P. R. China

Received Date: 18 March 2010
Available Online: 29 June 2010
Fund Project: 国家重点基础研究发展规划项目(973) (2009CB623605) (973) (2009CB623605)国家自然科学基金(20834006, 20774034)资助 (20834006, 20774034)

To improve the carrier-injection of polyfluorene, oli mers of polyfluorene, fluorene-bipyridine, and fluorene-phenanthrolin copolymers were theoretically studied for their geometries, electronic structures, excitation energies, and reorganization energies by density functional theory at the B3LYP/6-31Glevel. We evaluated the properties of the corresponding polymers by linear extrapolation. We found a large decrease of about 0.45/0.47 eV and 0.32/0.38 eVfor the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels, respectively, after the introduction of electron-deficient bipyridine/phenanthrolin into polyfluorene. These molecules improved the electron injection ability and the balance of carrier-injection in polyfluorene systems. Additionally, the reorganization energy increased for both electron and hole transports upon the incorporation of bipyridine, which resulted in worse carrier mobility. However, the fluorene-phenanthrolin copolymer showed a similar charge transport property to polyfluorene.
- Polyfluorene,
- Bipyridine,
- Phenanthrolin,
- Carrier-injection,
- Quantumchemistry
1. [1]
  
  1. Kraft, A.; Grimsdale, A. C.; Holmes, A. B. Angew. Chem. Int. Edit., 1998, 37: 402
2. [2]
  2. Mitschke, U.; B? uerle, P. J. Mater. Chem., 2000, 10: 1471
3. [3]
  3. Brabec, C. J.; Sariciftci, N. S.; Hummelen, J. C. Adv. Funct. Mater., 2001, 11: 15
4. [4]
  4. Horowitz, G. Adv. Mater., 1998, 10: 365
5. [5]
  5. McQuade, D. T.; Pullen, A. E.; Swager, T. M. Chem. Rev., 2000, 100: 2537
6. [6]
  6. Hou, J. H.; Tan, Z. A.; Yan, Y.; He, Y. J.; Yang, C. H.; Li, Y. F. J. Am. Chem. Soc., 2006, 128: 4911
7. [7]
  7. Braun, D.; Heeger, A. J. Appl. Phys. Lett., 1991, 58: 1982
8. [8]
  8. Yamamoto, T.; Anzai, K.; Iijima, T.; Fukumoto, H. Macromolecules, 2004, 37: 3064
9. [9]
  9. Pei, Q. B.; Yang, Y. J. Am. Chem. Soc., 1996, 118: 7416
10. [10]
  10. Zhang, M.; Lu, P.; Ma, Y. G.; Shen, J. C. J. Phys. Chem. B, 2003, 107: 6535
11. [11]
  11. Zhang, M.; Lu, P.; Tian, L. L.; Zhang, W.; Yang, B.; Ma, Y. G. Feng, J. K. Acta Phys. -Chim. Sin., 2004, 20: 924 [张明, 路萍,田雷蕾, 张武, 杨兵,马於光,封继康. 物理化学学报, 2004, 20: 924]
12. [12]
  12. Zhang, M.; Lu, P.; Wang, X. M.; He, L.; Xia, H.; Zhang, W.; Yang, B.; Liu, L. L.; Yang, L.; Yang, M.; Ma, Y. G.; Feng, J. K.;Wang, D. J.; Tamai, N. J. Phys. Chem. B, 2004, 108: 13185
13. [13]
  13. Yang, B.; Tian, L. L.; Zhang, H. Y.; Zhang, W.; Liu, X. D.; Xu, H.; Xie, Z. Q.; Lu, P.; Zhang, M.; Yu, J. S.; Ma, Y. G.; Shen, J. C. J. Phys. Chem. B, 2006, 110: 16846
14. [14]
  14. Zhang, W.; Yang, B.; Lu, P.; Li, M.; Tian, L. L.; Ma, Y. G. Synth. Met., 2008, 158(5): 194
15. [15]
  15. Tian, L. L.; Zhang,W.; Yang, B.; Lu, P.; Zhang, M.; Lu, D.; Ma, Y. G.; Shen, J. C. J. Phys. Chem. B, 2005, 109: 6944
16. [16]
  16. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 03. Revision B.03. Pittsburgh, PA: Gaussian Inc., 2003
17. [17]
  17. Lee, C.; Yang,W.; Parr, R. G. Phys. Rev. B, 1988, 37: 785
18. [18]
  18. Becke, A. D. J. Chem. Phys., 1993, 98: 5648
19. [19]
  19. Xu, H.; He, F.; Yang, B.; Zhang, H. Y.; Liu, S. J.; Gu, X.; Liu, D. D.; Liu, X. D.; Yu, J. S.; Ma, Y. G. Acta Phys. -Chim. Sin., 2009, 25: 869 [许海,何凤, 杨兵,张厚玉,刘随军,谷新, 刘丹丹,刘晓冬,于景生, 马於光. 物理化学学报, 2009, 25: 869]
20. [20]
  20. Yang, B.; Liu, X. D.; Xu, H.; Zheng, Y.; Lu, P.; Yu, J. S.; Ma, Y. G.; Feng, J. K. Acta Phys. -Chim. Sin., 2006, 22: 962 [杨兵, 刘晓冬,许海,郑岩,路萍,于景生,马於光, 封继康.物理化学学报, 2006, 22: 962]
21. [21]
  21. Wang, J. F.; Feng, J. K.; Ren, A. M.; Liu, X. D.; Ma, Y. G.; Lu, P.; Zhang, H. X. Macromolecules, 2004, 37: 3451
22. [22]
  22. Yu, J. S. K.; Chen, W. C.; Yu, C. H. J. Phys. Chem. A, 2003, 107: 4268
23. [23]
  23. Marcus, R. A. J. Chem. Phys., 1965, 43: 679
24. [24]
  24. Marcus, R. A. Rev. Mod. Phys., 1993, 65: 599
25. [25]
  25. Yang, X. D.; Li, Q. K.; Shuai, Z. G. Nanotechnology, 2007, 18: 424029
26. [26]
  26. Yin, S.W.; Yi, Y. P.; Li, Q. K. J. Phys. Chem. A, 2006, 110: 7138
27. [27]
  27. Valeev, E. F.; Coropceanu, V.; da Silva Filho, D. A. J. Am. Chem. Soc., 2006, 128: 9882
28. [28]
  28. Song, Y. B.; Di, C. A.; Yang, X. D. J. Am. Chem. Soc., 2006, 128: 15940
29. [29]
  29. Yang, B.; Kim, S. K.; Xu, H.; Park, Y. I.; Zhang, H. Y.; Gu, C.; Shen, F. Z.; Wang, C. L.; Liu, D. D.; Liu, X. D.; Hanif, M.; Tang, S.; Li,W. J.; Li, F.; Shen, J. C.; Park, J.W.; Ma, Y. G. ChemPhysChem, 2008, 9: 2601
30. [30]
  30. Mala li, M.; Brédas, J. L. Chem. Phys. Lett., 2000, 327: 13
31. [31]
  31. Li, M.; Lu, P.; Zhang, H. Q.; Lu, D.; Ma, Y. G. Chinese Journal of Luminescence, 2006, 27(1): 80 [李茂,路萍,张海全,陆丹, 马於光.发光学报, 2006, 27(1): 80 ]
32. [32]
  32. Lu, H. F.; Chan, H. S. O.; Ng, S. C. Macromolecules, 2003, 36: 1543
33. [33]
  33. Lu, P. The synthesis, electronic structure and optoelectronic properties of some polyfluorene derivatives [D]. Jilin: Jilin University, 2005 [路萍.若干聚芴衍生物的合成、电子结构与光电性质的研究[D]. 吉林:吉林大学, 2005]
34. [34]
  34. Lukes, V.; Aquino, A.; Lischka, H. J. Phys. Chem. A, 2005, 109: 10232
35. [35]
  35. Ma, J.; Li, S. H.; Jiang, Y. S. Macromolecules, 2002, 35: 1109
36. [36]
  36. Hsu, C.; Hirata, S.; Head- rdon, M. J. Phys. Chem. A, 2001, 105: 451
37. [37]
  37. Gierschner, J.; Cornil, J.; Egelhaaf, H. J. Adv. Mater., 2007, 19: 173
1. [1]
  Dongju Zhang , Rongxiu Zhu . Construction of Ideological and Political Education in Quantum Chemistry Course: Several Teaching Cases to Reveal the Universal Connection of Things. University Chemistry, 2024, 39(7): 272-277. doi: 10.3866/PKU.DXHX202311032
2. [2]
  Jia Zhou . Constructing Potential Energy Surface of Water Molecule by Quantum Chemistry and Machine Learning: Introduction to a Comprehensive Computational Chemistry Experiment. University Chemistry, 2024, 39(3): 351-358. doi: 10.3866/PKU.DXHX202309060
3. [3]
  Zhaoyang WANG , Chun YANG , Yaoyao Song , Na HAN , Xiaomeng LIU , Qinglun WANG . Lanthanide(Ⅲ) complexes derived from 4′-(2-pyridyl)-2, 2′∶6′, 2″-terpyridine: Crystal structures, fluorescent and magnetic properties. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1442-1451. doi: 10.11862/CJIC.20240114
4. [4]
  Guoxian Zhu , Jing Chen , Rongkai Pan . Enhancing the Teaching Quality of Atomic Structure: Insights and Strategies. University Chemistry, 2024, 39(3): 376-383. doi: 10.3866/PKU.DXHX202305027
5. [5]
  Chengqian Mao , Yanghan Chen , Haotong Bai , Junru Huang , Junpeng Zhuang . Photodimerization of Styrylpyridinium Salt and Its Application in Silk Screen Printing. University Chemistry, 2024, 39(5): 354-362. doi: 10.3866/PKU.DXHX202312014
6. [6]
  Yingchun ZHANG , Yiwei SHI , Ruijie YANG , Xin WANG , Zhiguo SONG , Min WANG . Dual ligands manganese complexes based on benzene sulfonic acid and 2, 2′-bipyridine: Structure and catalytic properties and mechanism in Mannich reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1501-1510. doi: 10.11862/CJIC.20240078
7. [7]
  Zongfei YANG , Xiaosen ZHAO , Jing LI , Wenchang ZHUANG . Research advances in heteropolyoxoniobates. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 465-480. doi: 10.11862/CJIC.20230306
8. [8]
  Peipei Sun , Jinyuan Zhang , Yanhua Song , Zhao Mo , Zhigang Chen , Hui Xu . 引入内建电场增强光载流子分离以促进H₂的生产. Acta Physico-Chimica Sinica, 2024, 40(11): 2311001-. doi: 10.3866/PKU.WHXB202311001
9. [9]
  Hong Zheng , Xin Peng , Chunwang Yi . The Tale of Caprolactam Cyclic Oligomers: The Ever-changing Life of “Princess Cyclo”. University Chemistry, 2024, 39(9): 40-47. doi: 10.12461/PKU.DXHX202403058
10. [10]
  Peifeng Su , Xin Lu . Development of Undergraduate Quantum Mechanics Module in Chemistry Department under the “Double First Class” Initiative. University Chemistry, 2024, 39(8): 99-103. doi: 10.3866/PKU.DXHX202401087
11. [11]
  Jiaxin Su , Jiaqi Zhang , Shuming Chai , Yankun Wang , Sibo Wang , Yuanxing Fang . Optimizing Poly(heptazine imide) Photoanodes Using Binary Molten Salt Synthesis for Water Oxidation Reaction. Acta Physico-Chimica Sinica, 2024, 40(12): 2408012-. doi: 10.3866/PKU.WHXB202408012
12. [12]
  Miaomiao He , Zhiqing Ge , Qiang Zhou , Jiaqing He , Hong Gong , Lingling Li , Pingping Zhu , Wei Shao . Exploring the Fascinating Realm of Quantum Dots. University Chemistry, 2024, 39(6): 231-237. doi: 10.3866/PKU.DXHX202310040
13. [13]
  Changjun You , Chunchun Wang , Mingjie Cai , Yanping Liu , Baikang Zhu , Shijie Li . 引入内建电场强化BiOBr/C₃N₅ S型异质结中光载流子分离以实现高效催化降解微污染物. Acta Physico-Chimica Sinica, 2024, 40(11): 2407014-. doi: 10.3866/PKU.WHXB202407014
14. [14]
  Yonghui ZHOU , Rujun HUANG , Dongchao YAO , Aiwei ZHANG , Yuhang SUN , Zhujun CHEN , Baisong ZHU , Youxuan ZHENG . Synthesis and photoelectric properties of fluorescence materials with electron donor-acceptor structures based on quinoxaline and pyridinopyrazine, carbazole, and diphenylamine derivatives. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 701-712. doi: 10.11862/CJIC.20230373
15. [15]
  Liyang ZHANG , Dongdong YANG , Ning LI , Yuanyu YANG , Qi MA . Crystal structures, luminescent properties and Hirshfeld surface analyses of three cadmium(Ⅱ) complexes based on 2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)benzoate. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1943-1952. doi: 10.11862/CJIC.20240079
16. [16]
  Jianjun Liu , Xue Yang , Chi Zhang , Xueyu Zhao , Zhiwei Zhang , Yongmei Chen , Qinghong Xu , Shao Jin . Preparation and Fluorescence Characterization of CdTe Semiconductor Quantum Dots. University Chemistry, 2024, 39(7): 307-315. doi: 10.3866/PKU.DXHX202311031
17. [17]
  Zeyu XU , Anlei DANG , Bihua DENG , Xiaoxin ZUO , Yu LU , Ping YANG , Wenzhu YIN . Evaluation of the efficacy of graphene oxide quantum dots as an ovalbumin delivery platform and adjuvant for immune enhancement. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1065-1078. doi: 10.11862/CJIC.20240099
18. [18]
  Juan Yang . Construction of General Chemistry Course in the Chemistry “101 Plan”. University Chemistry, 2024, 39(10): 8-13. doi: 10.12461/PKU.DXHX202408026
19. [19]
  Hongyan Chen , Yajun Hou , Shui Hu , Zhuoxun Wei , Fang Zhu , Chengyong Su . Construction of Synthetic Chemistry Experiment of the Chemistry “101 Plan”. University Chemistry, 2024, 39(10): 58-63. doi: 10.12461/PKU.DXHX202409109
20. [20]
  Yutao Lu , Jing Wu . Rebirth from the Flames: Unveiling the “Chemical Secrets” of Fire Smoke. University Chemistry, 2024, 39(9): 208-213. doi: 10.12461/PKU.DXHX202401001

Get Citation

PDF

XML

Metrics

PDF Downloads(1071)
Abstract views(3175)
HTML views(70)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142