High-performance polymer heterojunction solar cells of a polysilafluorene derivative

Wang, Ergang; Wang, Li; Lan, Linfeng; Luo, Cheng; Zhuang, Wenliu; Peng, Junbiao; Cao, Yong

doi:10.1063/1.2836266

Cited by 485 publications

(411 citation statements)

References 22 publications

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“…4 Along these lines, several other donor-acceptor low bandgap copolymers based on benzothiadiazoles have been synthesized. 5 Among them, some copolymers have been synthesized by using fluorenes, 6,7 carbazoles, 8,9 or dibenzosiloles 10,11 as electron-donating comonomers. Usually, with such bridged phenylene units, two thiophene units had to be added on both ends of the benzothiadiazole core to obtain relatively planar copolymers; such a coplanar structure should allow good charge transport properties.…”

Section: Introductionmentioning

confidence: 99%

Germafluorenes: New Heterocycles for Plastic Electronics

et al. 2010

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The synthesis and characterization of new heterofluorene derivatives based on germanium are described. These germafluorene monomers have been polymerized with different aromatic comonomers. The resulting homopolymers and alternating copolymers have been characterized by size exclusion chromatography, thermal analyses (TGA and DSC), UV-vis-NIR absorption spectroscopy, X-ray diffraction, and cyclic voltammetry. These homopolymers and copolymers are air-stable and present bandgaps ranging from 3.0 to 1.6 eV. Some copolymers were tested in field-effect transistors (FETs) and bulk heterojunction photovoltaic cells (PCs). Best results in FETs were obtained with poly[2,7-(9,9-di-n-butylgermafluorene)-alt-3,6-bis(thiophen-5-yl)-2,5-dioctylpyrrolo[3,4-]pyrrole-1,4-dione], which shows a hole mobility up to 0.04 cm 2 (V 3 s) -1 with an I on /I off ratio of 1.0 Â 10 6 . For photovoltaic applications, the best results were obtained with poly[2,7-(9,9-di-n-octylgermafluorene)-alt-5,5-(4 0 ,7 0 -di-2-thienyl-2 0 ,1 0 ,3 0 -benzothiadiazole)] with a power conversion efficiency (PCE) of 2.8%.

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Section: Introductionmentioning

confidence: 99%

Germafluorenes: New Heterocycles for Plastic Electronics

et al. 2010

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“…We selected a set of 50 training molecules compiled from the literature. 46,50,51,[111][112][113][114][115][116][117][118][119][120][121] These molecules include aliphatic side chains used to control packing structures. The current work is concerned with donor materials of BHJ design, but this method can naturally be applied to other device architectures and materials given the appropriate training set.…”

Section: Descriptor Model and Training Set Resultsmentioning

confidence: 99%

“…49 Following a similar technique, Wang et al replaced the fluorene moiety with silafluorene (SiF), and obtained a PCE of 5.4%. 50 The higher efficiency is a result of the broader absorption spectrum of silafluorene, which allows for a J sc of 9.5 mA/cm 2 .…”

Section: Organic Photovoltaic Materialsmentioning

confidence: 99%

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

Olivares‐Amaya

Amador‐Bedolla

Hachmann

et al. 2011

Energy Environ. Sci.

185

166

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In this perspective we explore the use of strategies from drug discovery, pattern recognition, and machine learning in the context of computational materials science. We focus our discussion on the development of donor materials for organic photovoltaics by means of a cheminformatics approach. These methods enable the development of models based on molecular descriptors that can be correlated to the important characteristics of the materials. Particularly, we formulate empirical models, parametrized using a training set of donor polymers with available experimental data, for the important current-voltage and efficiency characteristics of candidate molecules. The descriptors are readily computed which allows us to rapidly assess key quantities related to the performance of organic photovoltaics for many candidate molecules. As part of the Harvard Clean Energy Project, we use this approach to quickly obtain an initial ranking of its molecular library with 2.6 million candidate compounds. Our method reveals molecular motifs of particular interest, such as the benzothiadiazole and thienopyrrole moieties, which are present in the most promising set of molecules.

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“…This suggests that the interaction between the polymer chains in the solid state is strengthened through two-dimensional aggregation, which is consistent with this group's previous study and Yong Cao et al's study that indicated the result of an effective intermolecular interaction between polymeric backbones based on the regular arrangement formed by molecules in the process of developing films. 30,35,37,38 In addition to the red-shift in the UV-vis spectra of the film state compared with the solution state for PBDTAFQ, the π-π* transition intensity also decreased significantly (ca. 30%) when compared with the ICT absorption intensity.…”

Section: Optical-electrochemical Propertiesmentioning

confidence: 99%

“…The absorption peak in the high-energy region between 300 and 400 nm is based on localized π-π* transitions, 35 and the peak in the long wavelength region between 450 and 700 nm is based on the ICT between the polymer's acceptor and donor units. 36 PBDTAQ's λ max in the solution state was at 393 and 518 nm each, whereas PBDTAFQ's λ max was at 421 and 562 nm.…”

Section: Optical-electrochemical Propertiesmentioning

confidence: 99%

Improvement of short circuit current density by intermolecular interaction between polymer backbones for polymer solar cells

Lee

Choi

Jeon

et al. 2016

Polym J

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Benzodithiophene-and quinoxaline (Qu)-based derivatives were used to obtain two kinds of D-π-A-type polymers, poly(diethylhexyloxy benzo dithiophene-dioctyloxy dithiophene diphenyl Qu) (PBDTAQ) and poly(diethylhexyloxy benzo dithiophene-dioctyloxy dithiophene dibenzophenazine (PBDTAFQ), through a Stille coupling reaction. Phenyl (Qu) and fused-phenyl (phenazine, Pz) were introduced in locations 2 and 3, respectively, of Qu derivatives. For the polymer introduced with Pz, the tilt angle (θ 3 ) between the 2,3-carbon and the bonded phenyl side chains of Qu decreased from 44.06°to 0°. As a result, PBDTAFQ displayed a higher absorbance compared with PBDTAQ at the UV-vis absorption spectra in the film state. Also, the intra/intermolecular charge transfer (ICT) peak intensity of 500-700 nm increased relative to the solution peak. Furthermore, the results of the X-ray diffraction measurement suggest that the d π -spacing distance for PBDTAFQ (d π = 3.89 Å) was smaller than that for PBDTAQ (d π = 4.36Å), exhibiting a stronger intermolecular interaction. PBDTAQ showed an edge-on dominant orientation, whereas the PBDTAFQ thin films showed an increase in the face-on structure for crystallinity. As a consequence, PBDTAFQ showed an improved short current density (J SC ) in organic photovoltaic cells. The PBDTAFQ:PC 70 BM blend-based devices that were fabricated exhibited a power conversion efficiency of 3.0% at a 1:5 ratio and reached 3.4% when treated with additive and methanol.

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High-performance polymer heterojunction solar cells of a polysilafluorene derivative

Cited by 485 publications

References 22 publications

Germafluorenes: New Heterocycles for Plastic Electronics

Germafluorenes: New Heterocycles for Plastic Electronics

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

Improvement of short circuit current density by intermolecular interaction between polymer backbones for polymer solar cells

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