用于染料敏化太阳能电池的苊并吡嗪类染料的合成

Design and Synthesis of Organic Dyes Based on Acenaphthopyrazine for Dye-sensitized Solar Cells

以吡嗪环作为吸电子基团,单羧基为连接基团,选用不同的芳环供电基团设计合成了3个苊并吡嗪类染料敏化太阳能电池（DSSC）染料。其中,以二苯胺为供电基的染料Va性能最好,主要吸光范围是400~500 nm,ELUMO为-1.10 eV,远负于TiO2的导带能级-0.5 eV,说明染料的激发态电子注入到纳米TiO2的导带在热力学上是可行的;EHOMO为1.31 eV,远正于I-/I3-的氧化还原电位0.4 eV,说明处于氧化态的染料分子从氧化还原电对得到电子再生。光电转换效率最高为3.06%,达到经典染料N719效率的43%。

Three acenaphthopyrazine derivatives were designed and synthesized,during the process of which pyrazine groups were used as the electron acceptor connected by carboxyl acids to aromatic groups used as electron donor,applied in the production of dye-sensitized solar cells（DSSC）.A higher total solar energy conversion efficiency（η） of 3.06 % was obtained for the 3-（diphenylamino） acenaphtho pyrazine-8-carboxylic acid（Ⅴa）,compared with the conventional N719 dye,whose efficiency is 7.05% under the same conditions.The range of absorption of the dye Ⅴa is concentrated within 400 to 500 nm and the voltage of LUMO is-1.10 eV,which indicate that the process of electrons being injected into CB of TiO2 to form the excited dyes is theoretically feasible in thermodynamics.The data of EHOMO 1.31eV,more positive than I-/I3-redox couple 0.4 eV,also indicate that the oxidized dyes could be reduced effectively by electrolyte and then regenerated.