Domínguez Rocío, Montcada Núria F, de la Cruz Pilar, Palomares Emilio, Langa Fernando
Institute of Nanoscience, Nanotechnology and Molecular Materials (INAMOL), Universidad de Castilla-La Mancha, Avda. Carlos III s/n, 45071, Toledo, Spain.
Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, Avda. Països Catalans, 16, 43007, Tarragona, Spain.
Chempluschem. 2017 Jul;82(7):1096-1104. doi: 10.1002/cplu.201700158. Epub 2017 May 11.
A series of three small-molecule acceptor-donor-acceptor (A-D-A) compounds with a tetraaryl-1,4-dihydropyrrolo[3,2-b]pyrrole as the central building block were synthesized and fully characterized. These molecules present high thermal stability and suitable HOMO-LUMO energy levels making them feasible electron-donor materials in bulk heterojunction organic solar cells (BHJ-OSC). Moreover, theoretical work predicts of a lack of planarity and no π-π stacking, furthermore. The electron density of the HOMO is distributed on the pyrrole-pyrrole moiety and that of the LUMO is delocalized, in contrast, on the phenyl groups. The organic solar cells deliver an open-circuit voltage of 0.99 V. However, the overall efficiency is limited due to the low charge mobility measured for holes, 10 cm V s .
合成了一系列以四芳基-1,4-二氢吡咯并[3,2 - b]吡咯为中心结构单元的小分子受体-供体-受体（A - D - A）化合物，并对其进行了全面表征。这些分子具有高热稳定性和合适的HOMO - LUMO能级，使其成为本体异质结有机太阳能电池（BHJ - OSC）中可行的电子供体材料。此外，理论研究还预测它们缺乏平面性且不存在π - π堆积。相比之下，HOMO的电子密度分布在吡咯 - 吡咯部分，而LUMO的电子密度则离域在苯基上。该有机太阳能电池的开路电压为0.99 V。然而，由于空穴的电荷迁移率较低，仅为10 cm² V⁻¹ s⁻¹，导致整体效率受到限制。
