摘要

Polymer light-emitting diode (PLED) materials have attracted great attention and research interests due to their great scientific and economic potentials for flat panel display, lighting, etc. The in-depth research and the development of new materials make the practical applications of PLED appealing. The molecular design of desired polymeric electroluminescent materials is the key in the PLED development. In this review, we systematically summarize the basic methods and theories of molecular design of PLED materials, from the single molecule to the aggregated states, primarily based on our previous studies. In the single molecule design, various methods and theories are introduced and discussed in detail. While in the aggregated state design, brief discussions are presented due to the complexity and rapid development of this aspect. Finally, a general method for the molecular design of PLED materials is suggested on the expectation of their future developments.