为了提高有机太阳能电池的效率，本项目以减少激子损失和载流子损失为途径，设计并合成具有光诱导分子内电子转移的柱状相盘状液晶光伏材料。该类材料分子内含有电子给体单元、受体单元和桥体。吸收光能后，激发态分子内发生快速电子转移，产生电子和空穴，而其复合可以通过电子自旋控制、反转区效应等方法得到抑制；由于柱状相盘状液晶分子易自组装，生成柱状相，其载流子迁移率较高，可作为一维纳米导线使用。当盘状液晶在电极表面垂面取向时，空穴和电子分别通过垂直于电极表面的纳米线高效传输到正、负极，从而减少载流子损失。具体工作为：选择具有不同结构的给体、受体、和桥体或生色团，并借助计算机分子模拟，设计新结构，探索并优化合成方法，合成在太阳光波段内具有选择性光吸收的柱状相盘状液晶二元和三元化合物；进而研究材料的液晶性质、在不同衬底上的取向性、光诱导分子内电子转移的速率常数、电荷分离态寿命、以及对电池效率的影响。

In order to improve the power conversion efficiencies of the organic solar cells, in this project designing and synthesizing organic photovoltaic materials made from discotic columnar liquid crystals having photoinduced intramolecular electron transfer behavior are presented, in the way that the problems of exciton loss and carrier loss would be addressed. The molecules designed have donor, acceptor and bridge (/and chromophore) components. When excited there are photoinduced intramolecular electron transfer in the molecules, resulting in charge-separated states, that is the donor becomes positively charged and the acceptor becomes negatively charged. While the charges recombination can be slowed down by applying 'electron spin control' and 'inverted-region effect', etc. The discotic columnar liquid crystal molecules usually form columnar phases, which generally have high charge carrier mobility and used as 1D nanowires. When the materials face-on align on the surfaces of the electrodes, electrons and holes can pass through the nanowires which are perpendicular to the electrode surfaces, respectively, reaching the cathode and the anode. Thus the carrier loss decreases. Through choosing the candidates of donors, acceptors and bridges (/and chromophores), and using the computer simulation at the same time, the discotic liquid crystal dyads and triads which have specific absorption in the solar spectrum, having columnar phase and photoinduced intramolecular electron transfer, would be synthesized. In addition, the properties, such as the temperature ranges of the mesophase, the types of the liquid crystal phases, how they aligning on the substrates, the rates of the photoinduced intramolecular electron transfer, and life times of the charge-separated states, and how they affecting the power conversion efficiencies of the organic photovoltaic devices, will be investigated fully and thoroughly.