| Grant number: | 14/02071-5 |
| Support Opportunities: | Regular Research Grants |
| Start date: | July 01, 2014 |
| End date: | June 30, 2016 |
| Field of knowledge: | Physical Sciences and Mathematics - Chemistry - Physical-Chemistry |
| Principal Investigator: | Rodrigo Queiroz de Albuquerque |
| Grantee: | Rodrigo Queiroz de Albuquerque |
| Host Institution: | Instituto de Química de São Carlos (IQSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil |
Abstract
Organic light-emitting diodes, OLEDs, or light-emitting electrochemical cells, LECs, very often use Ir(III) complexes as the blue emitter. These complexes can aggregate, decreasing the emission intensity and red shifting the emission peak, which in turn decreases the lifetime of those devices. The understanding of how the structure of an Ir(III) complex influences the dimer formation and its photophysical properties plays a major role to advance science in this field. In this proposal one wishes to employ theoretical tools like the Density Functional Theory, DFT, to investigate how appropriate modifications in the chemical structure of blue-luminescent Ir(III) complexes prevent aggregation while leave unchanged the excited states. This study will contribute to the design of new Ir(III) complexes to be successfully used as blue emitters in LECs or OLEDs, and the developed methodology may be extended to treat luminescent complexes with other transition metals. (AU)
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