用于有机太阳能电池的中型共轭施主分子：基于苯并二噻吩和基于苯并噻唑的核的比较,Chemistry of Materials

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用于有机太阳能电池的中型共轭施主分子：基于苯并二噻吩和基于苯并噻唑的核的比较
Chemistry of Materials ( IF 7 ) Pub Date : 2017-09-05 00:00:00 , DOI: 10.1021/acs.chemmater.7b02665
Siyuan Zhang , Junxiang Zhang , Maged Abdelsamie , Qinqin Shi , Yadong Zhang , Timothy C. Parker , Evgheni V. Jucov , Tatiana V. Timofeeva , Aram Amassian , Guillermo C. Bazan , Simon B. Blakey , Stephen Barlow , Seth R. Marder

通过4-（4,4-双（2-乙基己基）-6-（三甲基锡烷基）-4 H -silolo [3，3]之间的Stille偶联合成了两个中等大小的供体分子BBTz-X和BDT-X。 2- b：4,5 - b ']二噻吩-2-基）-7-（5'-己基-[2,2'-联噻吩] -5-基）-[1,2,5]噻二唑[3 ，4- c ]吡啶和4,8-双（5-（2-（乙基乙基己基）噻吩-2-基）-2,6-二碘苯并[1,2- d：4,5- d ']双（噻唑））或2,6-二溴-4,8-双（5-（2-（乙基乙基己基）噻吩-2-基）苯并[1,2- b：4,5- b ']二噻吩。BBTz-X的氧化和还原电位相对于BBTz-X的氧化电位均发生阳极移位BDT-X，但氧化电位对核的身份更敏感；这与DFT计算得到的HOMO和LUMO能量一致，并且BBTz-X的吸收最大值略有蓝移。尽管DFT计算以及相关化合物的晶体结构表明BBTz-X比BDT-X具有更多的平面分子结构，但是GIWAXS揭示了膜结构以及各种退火工艺对这些膜的影响是相似的。BDT-X：PC ₆₁ BM体异质结太阳能电池的性能比BBTz-X：PC ₆₁对退火条件更敏感BM电池，但在适当的条件下，均会产生> 7％的功率转换效率。

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Intermediate-Sized Conjugated Donor Molecules for Organic Solar Cells: Comparison of Benzodithiophene and Benzobisthiazole-Based Cores

Two intermediate-sized donor molecules, BBTz-X and BDT-X, have been synthesized by the Stille coupling between 4-(4,4-bis(2-ethylhexyl)-6-(trimethylstannyl)-4H-silolo[3,2-b:4,5-b′]dithiophen-2-yl)-7-(5′-hexyl-[2,2′-bithiophen]-5-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine and either 4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)-2,6-diiodobenzo[1,2-d:4,5-d′]bis(thiazole) or 2,6-dibromo-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene, respectively. Both oxidation and reduction potentials for BBTz-X are anodically shifted relative to those for BDT-X, but the oxidation potential is more sensitive to the identity of the core; this is consistent with what is seen for DFT-calculated HOMO and LUMO energies and with a slightly blue-shifted absorption maximum for BBTz-X. Although DFT calculations, along with crystal structures of related compounds, suggest more planar molecular structures for BBTz-X than for BDT-X, film structures and the effects of various annealing processes on these films, as revealed by GIWAXS, are similar. The performance of BDT-X:PC₆₁BM bulk-heterojunction solar cells is more sensitive to annealing conditions than that of BBTz-X:PC₆₁BM cells, but under appropriate conditions, both yield power conversion efficiencies of >7%.

更新日期：2017-09-05

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