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

Science China Chemistry

Volumn 55, Issue 11, 2012, Pages 2428-2432

  Haoyuan, Li ^a,b   Liang, Chen ^a,b   Juan, Qiao ^a,b   Lian, Duan ^a,b   Deqiang, Zhang ^a,b   Guifang, Dong ^a,b   Liduo, Wang ^a,b   Yong, Qiu ^a,b  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

CBP; Charge mobility; Electron transport; Organic semiconductors; Quantum chemical calculation; Time of flight method

Indexed keywords

CBP; CHARGE MOBILITIES; ELECTRON TRANSPORT; QUANTUM CHEMICAL CALCULATIONS; TIME OF FLIGHT METHODS;

AMORPHOUS FILMS; ELECTRIC FIELDS; ELECTRON MOBILITY; ELECTRON TRANSPORT PROPERTIES; MOLECULAR ORBITALS; SEMICONDUCTING ORGANIC COMPOUNDS; TRANSPORT PROPERTIES;

ELECTRIC FIELD MEASUREMENT;

EID: 84872104879     PISSN: 16747291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-012-4747-y     Document Type: Article

References (30)

1. Coropceanu V, Cornil J, da Silva DA, Olivier Y, Silbey R, Bredas JL. Charge transport in organic semiconductors. Chem Rev, 2007, 107: 926-952
2. Shirota Y, Kinoshita M, Noda T, Okumoto K, Ohara T. A novel class of emitting amorphous molecular materials as bipolar radical formants: 2-{4-[bis(4-methylphenyl)amino]phenyl}-5-(dimesitylboryl) thiophene and 2-(4-[bis(9,9-dimethylfluorenyl)amino]phenyl}-5-(dimesitylborly) thiophene. J Am Chem Soc, 2000, 122: 11021-11022
3. Duan LA, Qiao JA, Sun YD, Qiu Y. Strategies to design bipolar small molecules for OLEDs: Donor-acceptor structure and nondonor-acceptor structure. Adv Mater, 2011, 23: 1137-1144
4. Baldo MA, Lamansky S, Burrows PE, Thompson ME, Forrest SR. Very high-efficiency green organic light-emitting devices based on electrophosphorescence. Appl Phys Lett, 1999, 75: 4-6
5. Song DD, Zhao SL, Luo YC, Aziz H. Causes of efficiency roll-off in phosphorescent organic light emitting devices: Triplet-triplet annihilation versus triplet-polaron quenching. Appl Phys Lett, 2010, 97: 243304
6. Matsushima H, Naka S, Okada H, Onnagawa H. Organic electrophosphorescent devices with mixed hole transport material as emission layer. Curr Appl Phys, 2005, 5: 305-308
7. Yamada T, Suzuki F, Goto A, Sato T, Tanaka K, Kaji H. Revealing bipolar charge-transport property of 4,4'-N,N'-dicarbazolylbiphenyl (CBP) by quantum chemical calculations. Org Electron, 2011, 12: 169-178
8. Bassler H. Charge transport in disordered organic photoconductors a monte carlo simulation study. Phys Status Solidi B, 1993, 175: 15-56
9. Barbara PF, Meyer TJ, Ratner MA. Contemporary issues in electron transfer research. J Phys Chem, 1996, 100: 13148-13168
10. Sirringhaus H, Brown PJ, Friend RH, Nielsen MM, Bechgaard K, Langeveld-Voss BMW, Spiering AJH, Janssen RAJ, Meijer EW, Herwig P, de Leeuw DM. Two-dimensional charge transport in self-organized, high-mobility conjugated polymers. Nature, 1999, 401: 685-688
11. Marcus RA. Electron-transfer reactions in chemistry-Theory and experiment. Rev Mod Phys, 1993, 65: 599-610
12. Wang LJ, Nan GJ, Yang XD, Peng Q, Li QK, Shuai ZG. Computational methods for design of organic materials with high charge mobility. Chem Soc Rev, 2010, 39: 423-434
13. Gao HZ, Qin CS, Zhang HY, Wu SX, Su ZM, Wang Y. Theoretical characterization of a typical hole/exciton-blocking material bathocuproine and its analogues. J Phys Chem A, 2008, 112: 9097-9103
14. Gao HZ. Theoretical characterization of hole mobility in N,N'-diphenyl-N,N'-bis(3-methylphenyl)-(1,1'-biphenyl)-4,4'-diamine. J Mol Struc-Theochem, 2010, 962: 80-84
15. Yang GC, Si YL, Geng Y, Yu F, Wu QX, Su ZM. Charge transport and electronic properties of N-heteroquinones: Quadruple weak hydrogen bonds and strong pi-pi stacking interactions. Theor Chem Acc, 2011, 128: 257-264
16. Kwiatkowski JJ, Nelson J, Li H, Bredas JL, Wenzel W, Lennartz C. Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq3). Phys Chem Chem Phys, 2008. 10: 1852-1858
17. Yamada T, Sato T, Tanaka K, Kaji H. Percolation paths for charge transports in N,N'-diphenyl-N,N'-di(m-tolyl)benzidine (TPD). Org Electron, 2010, 11: 255-265
18. Li H, Bredas JL, Lennartz C. First-principles theoretical investigation of the electronic couplings in single crystals of phenanthroline-based organic semiconductors. J Chem Phys, 2007, 126: 164704
19. Li HX, Zheng RH, Shi Q. Theoretical study on charge carrier mobilities of tetrathiafulvalene derivatives. Phys Chem Chem Phys, 2011, 13: 5642-5650
20. Valeev EF, Coropceanu V, da Silva DA, Salman S, Bredas JL. Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors. J Am Chem Soc, 2006, 128: 9882-9886
21. Koh SE, Risko C, da Silva DA, Kwon O, Facchetti A, Bredas JL, Marks TJ, Ratner MA. Modeling electron and hole transport in fluoroarene-oligothiopene semiconductors: Investigation of geometric and electronic structure properties. Adv Func Mater, 2008, 18: 332-340
22. Wen SH, Deng WQ, Han KL. Revealing quantitative structureactivity relationships of transport properties in acene and acene derivative organic materials. Phys Chem Chem Phys, 2010, 12: 9267-9275
23. Baumeier B, Kirkpatrick J, Andrienko D. Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies. Phys Chem Chem Phys, 2010, 12: 11103-11113
24. Tsuji H, Mitsui C, Sato Y, Nakamura E. Bis(carbazolyl)benzodifuran: A high-mobility ambipolar material for homojunction organic light-emitting diode devices. Adv Mater, 2009, 21: 3776-3779
25. Frisch MJ, Trucks GW, Schlegel HB et al. Gaussian 03. Pittsburgh PA: Gaussian, Inc., 2003
26. Low PJ, Paterson MAJ, Yufit DS, Howard JAK, Cherryman JC, Tackley DR, Brook R, Brown B. Towards an understanding of structure-property relationships in hole-transport materials: The influence of molecular conformation on oxidation potential in poly(aryl) amines. J Mater Chem, 2005, 15: 2304-2315
27. Cornil J, Bredas JL, Zaumseil J, Sirringhaus H. Ambipolar transport in organic conjugated material. Adv Mater, 2007, 19: 1791-1799
28. Chua LL, Zaumseil J, Chang JF, Ou ECW, Ho PKH, Sirringhaus H, Friend RH. General observation of n-type field-effect behaviour in organic semiconductors. Nature, 2005, 434: 194-199
29. Cheng CP, Lin BC, You ZQ, Hsu CP. Charge transport properties of tris(8-hydroxyquinolinato)aluminum(III): Why it is an electron transporter? J Am Chem Soc, 2005, 127: 66-67
30. Fong HH, So SK. Hole transporting properties of tris(8-hydroxyquinoline) aluminum (Alq(3)). J Appl Phys, 2006, 100: 094502