Otsura Takanori, Nakatsuka Emi, Nagase Takashi, Kobayashi Takashi, Naito Hiroyoshi
J Nanosci Nanotechnol. 2016 Apr;16(4):3349-54. doi: 10.1166/jnn.2016.12298.
The power conversion efficiencies (PCEs) as a function of band gap energies and the lowest unoccupied molecular orbital (LUMO) levels of donor materials are studied in bulk-heterojunction organic solar cells (OSCs) fabricated from donor materials and fullerene acceptors. The PCEs of [6,6]-pheynl-C61-butyric acid methyl ester (PC61BM) and [6,6]-pheynl-C71-butyric acid methyl ester (PC71 BM) based OSCs blended with donor materials under the Air Mass 1.5 (AM1.5) spectrum are calculated. In the calculation, the short circuit current densities are determined by band gap energies of donor materials and the open circuit voltages are derived from the difference between the highest occupied molecular orbital (HOMO) levels of donor materials and LUMO levels of PC61BM and PC71 BM. The calculation is in good agreement with the experiments. The PCEs under a fluorescent lamp are also calculated. The calculated PCEs of PC71 BM based OSCs under a fluorescent lamp are higher than those under the AM1.5 spectrum by a factor of 2. The PCEs of thieno [3,4-b] thiophene and benzodithiophene (PTB7):PC71BM based OSCs are studied under the AM1.5 spectrum and a fluorescent lamp spectrum and are consistent with the calculation.
在由给体材料和富勒烯受体制成的体异质结有机太阳能电池（OSC）中，研究了作为带隙能量和给体材料最低未占据分子轨道（LUMO）能级函数的功率转换效率（PCE）。计算了基于[6,6]-苯基-C61-丁酸甲酯（PC61BM）和[6,6]-苯基-C71-丁酸甲酯（PC71BM）的OSC在空气质量1.5（AM1.5）光谱下与给体材料混合时的PCE。在计算中，短路电流密度由给体材料的带隙能量决定，开路电压由给体材料最高占据分子轨道（HOMO）能级与PC61BM和PC71BM的LUMO能级之差得出。计算结果与实验结果吻合良好。还计算了荧光灯下的PCE。基于PC71BM的OSC在荧光灯下计算得到的PCE比在AM1.5光谱下高2倍。研究了基于噻吩并[3,4-b]噻吩和苯并二噻吩（PTB7）：PC71BM的OSC在AM1.5光谱和荧光灯光谱下的PCE，结果与计算结果一致。
