聚合物太阳能电池中光致激子形成、扩散和相关机理的研究

This project is to investigate the photo-induced exciton formation and diffusion process of polymer solar cell in theory. The applied research method not only embeds the interaction between optics field and polymer into the traditional dynamics, but also links the F?rster theory depicting exciton diffusion between polymer molecules with dynamics, and finally completes research tools exhibiting the exciton formation and diffusion in polymer materials. Based on it, considering the general property of polymer, it is to prove the theoretical assumption for improvement of photoelectric conversion efficiency in polymer solar cell: The singlet exciton can be induced to transform to triple, that forbids the decay of exciton and prolongs life-time of the exciton, finally improving the photoelectric conversion efficiency of polymer solar cell.Therefore,the research of photo-induced exciton formation and exciton diffusion in polymer should be conducted on the following points: How do the frequency width and strength of external optics field affect the exciton formation and diffusion on polymer;the influence of the electron-phonon interaction on the exciton diffusion; the influence of the intermolecular coupling on the exciton diffusion;the influence of the introduction of spin-orbital interaction on the transformation of singlet exciton to the triplet; and the influence of the strength of spin-orbital interaction on the ratio of triplet, etc..The discussion and the clarifying of the previous questions, hopefully, can solid the theoretical ground of the research of polymer solar cell.

本项目将对聚合物太阳能电池中的光致激子形成、扩散和相关的机理展开多方位的理论探索。采用的研究方法不仅把光与聚合物的相互作用嵌入传统的动力学中,而且将刻画激子在分子间扩散的理论与动力学衔接起来，构建描述聚合物中光致激子形成和扩散的理论工具。在此基础上，研究将结合聚合物的共性，论证提高聚合物太阳能电池光电转换效率的设想：诱使单线态激子向三线态激子的转化，实现对激子跃迁的禁戒，延长激子的寿命，使更多激子扩散到达异质结被分离，从而提高光电转换效率。课题将立足于以下几点展开研究：外界光场的频宽和强度如何影响聚合物中激子形成和扩散；聚合物分子内的电声相互作用对激子扩散的影响；聚合物分子链间的相互作用对激子寿命的影响；引入的自旋-轨道相互作用如何使单线态激子向三线态激子的转变；自旋-轨道相互作用对三线态激子生成率的影响程度等。以上这些问题的探讨和澄清，期望能完善聚合物太阳能材料研究的理论基础。

本项目 对聚合物太阳能电池中的光致激子形成、扩散和相关的机理展开多方位的理论探 索。采用的研究方法不仅把光与聚合物的相互作用嵌入传统的动力学中,而且将刻画激子 在分子间扩散的理论与动力学衔接起来，构建描述聚合物中光致激子形成和扩散的理论工 具。在此基础上，研究将结合聚合物的共性，论证提高聚合物太阳能电池光电转换效率的设想。课题将立足于以下几点展开研究：外界光场的频宽和强度如何影响聚合物中激子形成和扩散；聚合物分子内的电声相互作用对激子扩散的影响；聚合物分子链间的相互作用对激子寿命的影响；外界作用对激子生成率的影响程度等。以上这些问题的探讨和澄清，完善聚合物太阳能材料研究的理论基础。