摘要
建立了一套用量子化学理论,对电发光过程的每一步:包括空穴和电子注入,空穴和电子传输,空穴和电子复合形成激子、发光,进行表征、计算、研究的方法.用这套方法,对有机共轭化合物、金属有机配合物、高聚物和低聚物进行了计算研究,通过分子设计,改变分子结构,实现对发光波长及载流子注入与传输速率的调控,为得到各方面品质优良的OLED材料提供了理论上的支持.
A systematic theoretical method on the investigation of the process of light-emitting in organic conjugated molecules,metal complexes with organic ligands,polymers,and oligomers has been proposed.The hole-and electron-injection/transport,exciton binding energy and absorption and emission spectra of these materials have been studied.To find new multifunctional OLED materials,a number of high-performanced light-emitting complexes were designed.In addition,it is easy to tune the emission wavelengths and hole-and electron-injection/transport by altering the molecular structures.As a result,this work should be useful for developing new and high-powered π-conjugated materials for OLEDs.
出处
《分子科学学报》
CAS
CSCD
北大核心
2010年第4期223-245,共23页
Journal of Molecular Science
基金
国家重点基础研究发展规划资助项目(2002CB613406)
国家自然科学基金资助项目(2997301020273023)
吉林大学超分子结构与材料国家重点实验室开放课题基金资助项目(SKLSSM200716)
关键词
OLED材料
分子结构
分子设计
OLED materials
molecular structure
molecular design
