摘要
设计合成了一个基于引达省并二噻吩吡喃的稠环有机受体材料.吡喃环的引入提高了分子中间核的给电子能力,使分子的最高占有轨道能级(HOMO)显著提升,进而使分子的吸收光谱红移.通过理论计算,证实了分子的设计思路的可行性.紫外吸收光谱分析发现,该受体材料具有较窄的带隙(1.30 eV),其最大吸收峰在843 nm,吸收截止到956 nm,有利于活性层材料对太阳光的充分吸收利用.将该受体材料与聚合物给体材料PM6共混制备有机太阳能电池器件,获得了0.86 V的开路电压(opencircuit voltage,V^oc)、20.61 mA cm^-2的短路电流密度(short-circuit current density,Jsc)和10.85%的能量转化效率(power conversion efficiency,PCE).
We designed and synthetized a new non fullerene acceptor with an A-D-A structure,named IDTO2 HT-2 F,based on indacenobis(dithieno[3,2-b:2′,3′-d]pyran)for organic solar cells.The dithieno[3,2-b:2′,3′-d]pyran will improve the electron-donating capability of the unit and lift the highest occupied molecular orbital(HOMO).Thus,the band gap decreases,making the maximum absorption peak red-shift.Theoretical calculation based on density functional theory(DFT)proved the feasibility of this molecular design.The molecule IDTO2 HT-2 F has a narrow bang gap of 1.30 eV with the solid absorption edge extended to 956 nm,which is complementary to that of the polymer PM6 film.The broad absorption of the active layer ensures the photovoltaic device to produce high photocurrent.With 0.5%DIO additive and thermal annealing at 120°C for 10 min,the organic solar cell based on the acceptor IDTO2 HT-2 F and the polymer PM6 exhibits a power conversion efficiency(PCE)of10.85%with a short circuit current density(J^sc)of 20.61 mA cm^-2,an open-circuit voltage(V^oc)of 0.86 V and a fill factor(FF)of 0.62.The results indicate that the strategy of introducing pyran into the molecular backbone is an effective way to tune the absorption and energy level of the molecules,which is also a promising method to design new non fullerene acceptors.
作者
柯鑫
孟令贤
万相见
张昕
常美佳
李晨曦
陈永胜
Xin Ke;Ling-xian Meng;Xiang-jian Wan;Xin Zhang;Mei-jia Chang;Chen-xi Li;Yong-sheng Chen(State Key Laboratory and Institute of Elemento-Organic Chemistry,Centre of Nanoscale Science and Technology,Key Laboratory of Functional Polymer Materials,College of Chemistry,Nankai University,Tianjin 300071)
出处
《高分子学报》
SCIE
CAS
CSCD
北大核心
2020年第2期148-157,共10页
Acta Polymerica Sinica
基金
国家自然科学基金(基金号91633301,51873089,51773095)
天津市自然科学基金(基金号17JCJQJC44500,17JCZDJC31100)
高等学校学科创新引智计划(项目号B12015)资助项目.
关键词
有机太阳能电池
受体材料
二噻吩吡喃
Organic solar cells
Acceptor materials
Dithieno[3,2-b′,3′-d]pyran
