共敏化有机染料分子对敏化太阳能电池短路电流密度的影响  

Effects of Organic Dyes on Short-circuit Current of Co-sensitized Solar Cells

作　　者：刘芹 阚玉和[1] LIU Qin;KAN Yu-he(School of Chemistry and Chemical Engineering,Huaiyin Normal University,Huaian Jiangsu 223300,China)

机构地区：[1]淮阴师范学院化学化工学院

出　　处：《淮阴师范学院学报（自然科学版）》2019年第4期333-337,共5页Journal of Huaiyin Teachers College;Natural Science Edition

基　　金：江苏省自然科学基金资助项目(BK20161307);江苏省大学生创新实践训练计划项目(201810323043X)

摘　　要：基于实验报道的有机共敏化剂D35和XY1,运用量子化学手段研究了有机染料的电子结构和光电转换效率之间的关系.通过密度泛函理论(DFT)和含时密度泛函理论(TD-DFT)方法计算了电子结构和电子吸收光谱,研究对比了基于D35衍生设计的染料分子1-6.结果表明,D35分子共轭桥的甲氧基化提高了染料分子的可见光吸收强度,拓宽了光谱响应范围,使共敏化有机染料电池的最大短路电流密度明显提升.该研究可为有机染料共敏化太阳能电池的理性分子设计提供理论依据.Based on the experimentally reported organic co-sensitizers D35 and XY1, the relationship between the electronic structure and photoelectric conversion efficiency of organic dyes was studied by means of quantum chemistry computations. The electronic structure and electronic absorption spectrum were calculated by the density functional theory(DFT) and time-dependent density functional theory(TD-DFT). The results show that the methoxylation of the conjugated bridge of the D35 molecule increases the visible light absorption intensity of the dye, widens the spectral response range, and significantly increases the maximum short-circuit current density of the co-sensitized organic dye cell. This study provides theoretical basis for the rational design of organic dye co-sensitized solar cells.

关 键 词：染料敏化太阳能电池 共敏化 密度泛函理论 短路电流密度 

分 类 号：O64[理学—物理化学]