The effect of metal electron cloud on the luminescence characteristics of organic ligands: An experimental and theoretical investigation

Chinese Science Bulletin

Volumn 56, Issue 6, 2011, Pages 479-483

  Zhang, Fu Jun ^a   Liu, Xiao Jun ^a   Huang, Feng ^a   Zhuo, Zu Liang ^a   Lu, Li Fang ^a   Xu, Zheng ^a   Wang, Yong Sheng ^a   Tao, Xu Tang ^b   Bian, Wen Sheng ^c   Tang, Wei Hua ^d  

^a BEIJING JIAOTONG UNIVERSITY   (China)

^b SHANDONG UNIVERSITY   (China)

^c PEKING UNIVERSITY   (China)

^d NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

charge transfer; computational modeling; luminescence

Indexed keywords

EID: 79952046154     PISSN: 10016538     EISSN: 18619541     Source Type: Journal    
DOI: 10.1007/s11434-010-4316-8     Document Type: Article

References (34)

1. Hung L S, Tang C W, Mason M. G. Enhanced electron injection in organic electroluminescence devices using an Al/LiF electrode. Appl Phys Lett, 1997, 70: 152-154.
2. Chen H Y, Hou J H, Zhang S Q, et al. Polymer solar cells with enhanced open-circuit voltage and efficiency. Nat Photonics, 2009, 3: 649-653.
3. Dimitrakopoulos C, Malenfant P. Organic thin film transistors for large area electronics. Adv Mater, 2002, 14: 99-117.
4. Zhang F J, Sun F Y, Shi Y Z, et al. Effect of an ultra-thin molybdenum trioxide layer and illumination intensity on the performance of organic photovoltaic devices. Energ Fuel, 2010, 24: 3739-3742.
5. Kadashchuk A, Schols S, Vakhnin A, et al. Triplet dynamics and charge carrier trapping in triplet-emitter doped conjugated polymers. Chem Phys, 2009, 358: 147-155.
6. Marchiori C F N, Koehler M. Dipole assisted exciton dissociation at conjugated polymer/fullerene photovoltaic interfaces: A molecular study using density functional theory calculations. Synth Met, 2010, 160: 643-650.
7. Zhang F J, Vollmer A, Zhang J, et al. Energy level alignment and morphology of interfaces between molecular and polymeric organic semiconductors. Org Electron, 2007, 8: 606-614.
8. Tang C W, VanSlyke S A. Organic electroluminescent diodes. Appl Phys Lett, 1987, 51: 913-915.
9. 3 for inverted OLED application. Org Electron, 2008, 9: 407-412.
10. Hernández I, Gillin W P, Somerton M. Spectroscopic study of Mq3 (M=Al, Ga, In, q=8-hydroxyquinolinate) at high pressure. J Lumin, 2009, 129: 1835-1839.
11. Sapochak L S, Benincasa F E, Schofield R S, et al. Electroluminescent zinc (II) bis(8-hydroxyquinoline): Structural effects on electronic states and device performance. J Am Chem Soc, 2002, 124: 6119-6125.
12. Guo J H, Wu Y, Ye K Q, et al. Electroluminescent property of tetrakis(phenyl)porphyrin carbonyl ruthenium (II). Chinese Sci Bull, 2004, 49: 1816-1819.
13. 3+ complex? Opt Mater, 2007, 30: 427-430.
14. Jung S O, Zhao Q, Park J W, et al. A green emitting iridium (III) complex with narrow emission band and its application to phosphorescence organic light-emitting diodes (OLEDs). Org Electron, 2009, 10: 1066-1073.
15. Minaev B. Theoretical study of the external heavy atom effect on phosphorescence of free-base porphin molecule. Spectrochim Acta A, 2004, 60: 3213-3224.
16. Crosby G A, Alire R M. Intramolecular energy transfer in rare earth chelates. Role of the triplet state. J Chem Phys, 1961, 34: 743-748.
17. Lehn J M. Supramolecular chemistry: From molecular information towards self-organization and complex matter. Rep Prog Phys, 2004, 67: 249-265.
18. Huang J, Yu J S, Lin H, et al. Polaron-pair-ependent equivalent circuit parameters of organic solar cells based on CuPc and C-60. Chinese Sci Bull, 2010, 55: 1317-1324.
19. 60. J Mater Sci Tech, 2006, 22: 549-551.
20. Baran J D, Larsson J A, Woolley R A J, et al. Theoretical and experimental comparison of SnPc, PbPc, and CoPc adsorption on Ag (111). Phys Rev B, 2010, 81: 075413.
21. Zheng X Y, Pang E G, Li H Q, et al. The role of cupric in maintaining the structure of CopC. Chinese Sci Bull, 2007, 52: 743-747.
22. Sugimoto M, Anzai M, Sakanoue K, et al. Modulating fluorescence of 8-quinolinolato compounds by functional groups: A theoretical study. Appl Phys Lett, 2001, 79: 2348-2350.
23. Da Silva J V, Vidal L N, Vazquez P A M, et al. Coupled cluster and configuration interaction quantum calculations of infrared fundamental intensities. Int J Quantum Chem, 2010, 110: 2029-2036.
24. Hampel C, Peterson K A, Werner H J. A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods. Chem Phys Lett, 1992, 190: 1-12.
25. Samanta K, Yeager D L. Obtaining positions and widths of scattering resonances from a complex multi configurational self-consistent field state using the M-1 method. Int J Quantum Chem, 2010, 110: 798-812.
26. - shape resonances using a quadratically convergent complex multiconfigurational self-consistent field method. J Phys Chem B, 2008, 112: 16214-16219.
27. Jacquemin D, Wathelet V, Perpete E A, et al. Extensive TD-DFT benchmark: Singlet-excited states of organic molecules. J Chem Theory Comput, 2009, 5: 2420-2435.
28. 8] (M=Cu, Ag) clusters. Sci China Ser B-Chem, 2009, 52: 1954-1960.
29. Becke A D. Density-functional thermochemistry III. The role of exact exchange. J Chem Phys, 1993, 98: 5648-5652.
30. Jacquemin D, Perpete E A, Ciofini I, et al. Accurate simulation of optical properties in dyes. Accounts Chem Res, 2009, 42: 326-334.
31. Hay P J, Wadt W R. Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals. J Chem Phys, 1985, 82: 299-310.
32. 3 and its difluorinated derivatives. Synthetic Met, 2009, 159: 385-390.
33. Zhang J P, Frenking G. Quantum chemical analysis of the chemical bonds in tris(8-hydroxyquinolinato)aluminum as a key emitting material for OLED. J Phys Chem A, 2004, 108: 10296-10301.
34. Zhang F J, Xu Z, Zhao S L, et al. Improved performance of organic light emitting diodes by pentacene as hole transporting layer. Appl Surf Sci, 2008, 255: 1942-1945.