基于Pt(Ⅱ)配合物的高效磷光材料的理论研究

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1、目录摘要..............................................................................................................................................................ⅠAbstract.................................................................................................................

2、......................................Ⅲ第一节有机电致发光器件(OLEDs).....................................................................................................11.1OLED的研发历程.................................................................................................................

3、.........11.2OLED的结构及其工作原理........................................................................................................21.3磷光的产生过程............................................................................................................................31.4主-客体体系.........

4、..........................................................................................................................41.5有机金属OLED客体材料的研究现状.....................................................................................51.6有机金属配合物中的电子激发态......................................

5、.......................................................51.7课题研究的意义............................................................................................................................6参考文献.........................................................................................

6、..............................................................8第二节理论背景与计算方法..............................................................................................................112.1密度泛函理论(DensityFunctionalTheory，简称DFT)...................................................112.2含

7、时密度泛函理论(Time-DensityFunctionalTheory，简称DFT)..............................122.3溶剂化效应...................................................................................................................................122.3.2极化连续介质模型（PCM）..................................................

8、............