Geometry and Electronic Structure of Di-phenyl-amino Benzene Derivatives and Their Applications on OLED Devices

Recently, developments of the energetic sources attracted lots of attention since of its great importance. In this regard looking for the new generation of light sources is quite vital. OLED is one the best light sources which have great advantages, thus it has been a hot research topic now a day, especially to find the best material increasing its efficiency. Although the research topic is quite important, the required technology for is experimental study is significantly expensive. In this paper, we have presented a nice DFT-based theoretical method applicable for studying the efficacy of guest materials in OLED systems.