光电材料中的输运理论与计算

Theoretical Study of Transport in Organic Optoelectronic Materials

有机半导体作为一种新型光电材料,近年来取得了重要的研究进展。针对有机材料的电致发光、载流子输运、光伏器件中形貌对能量转化效率以及对开路电压和短路电流的影响、热电转换等问题,发展了多尺度的计算模拟方法,并提出了有机半导体的局域电荷量子核隧穿模型。

There have been remarkable progresses in the investigations of the organic optoelectronic functional materials recently. Focusing on the dectroluminescence, carrier transport, as well as the influences of morphology on the power conversion efficiency and open circuit voltage and short circuit current, thermal electric conversion, we have developed multiscale approach to simulate the electronic and excited state processes. We proposed a nuclear tunneling model for carrier transport.