Charge-transfer states and white emission in organic light-emitting diodes: a theoretical investigation
Fang, Y; Gao, SL; Yang, X; Shuai, Z; Beljonne, D; Bredas, JL
| HERO ID | 3576145 |
|---|---|
| In Press | No |
| Year | 2004 |
| Title | Charge-transfer states and white emission in organic light-emitting diodes: a theoretical investigation |
| Authors | Fang, Y; Gao, SL; Yang, X; Shuai, Z; Beljonne, D; Bredas, JL |
| Journal | Synthetic Metals |
| Volume | 141 |
| Issue | 1-2 |
| Page Numbers | 43-49 |
| Abstract | Efficient white light emission has been recently reported in an electroluminescent device where the active material is a complex made of N,N'-bis(alpha-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4-diamine (NPB) and a boron-fluorine derivative of 1,6-bis(2-hydroxy-5-methylphenyl)pyridine ((mdppy)BF). Here, we investigate theoretically the intermolecular charge transfer in the materials. The interfacial layer is modeled on the basis of a simple dimer structure, for which the lowest excited states are described in the framework of a correlated quantum-chemical semiempirical technique. From the analysis of the calculated excited-state wavefunctions, we find that the lowest excited state possesses significant contributions from charge-transfer excitations from the donor (NPB) to the acceptor ((mdppy)BF). The influence of intermolecular distance and medium polarization are also explored. (C) 2003 Elsevier B.V. All rights reserved. |
| Doi | 10.1016/j.synthmet.2003.09.022 |
| Wosid | WOS:000220273400009 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Keyword | charge-transfer states; white emission; organic light-emitting diodes; quantum chemical calculations |