共轭聚合物PPV及其衍生物的能带研究  

Study of the Band Structure of the Conjugated Multiblock Copolymers PPV (poly-phenylene vinylene) and Its Alkoxyl Derivatives

作　　者：柯志杰[1] 黄美纯[1] 陈捷[1] 

机构地区：[1]厦门大学物理学系,福建厦门361005

出　　处：《厦门大学学报（自然科学版）》2004年第4期487-490,共4页Journal of Xiamen University：Natural Science

基　　金：国家科技部863计划(2001AA313070)资助

摘　　要：基于聚合物发光二极管(PLED)器件全色系的构想,对有机高分子共轭聚合物PPV C8H6) n及其一种烷氧基的衍生物 C14H18O2 n用扩展H櫣ckel方法(EHM)进行了能带结构、电子态密度的计算.所得到的带隙与实验观察值符合较好,为研究PPV及其烷氧基衍生物一族的带隙变化规律提供了一些有意义的参考.Since the discovery of poly(p-phenylenevinylene) electroluminescence in 1990,much effort has been devoted to the calculation of its electronic structure in order to give accurate predict of the properties of poly and its derivatives. But we have great trouble in dealing with the poly's big cells. In this article, we try to calculate the electronic structures of PPV C_8H_6_n and one of its alkoxyl derivatives with the molecular formula C_(14)H_(18)O_2_n by the extend Hückel method (EHM).We have got their band gaps and made some comparisons. We find that the latter's band gap is smaller than the prior's, which is observed in experience.

关 键 词：共轭聚合物 PPV 衍生物 聚合物发光二极管 电子能带结构 烷氧基 电致发光材料 

分 类 号：TN383.1[电子电信—物理电子学] O481.1[理学—固体物理]