<i>SGTools:</i> a suite of tools for processing and analyzing large data sets from <i>in situ</i> X-ray scattering experiments

Nie, Zhaogang; Yang, Chunming; Bian, Fenggang; Guo, Daoyou; Ouyang, Xiaoping

doi:10.1107/s1600576721012267

Cited by 19 publications

(10 citation statements)

References 56 publications

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“…In this work, we describe how a methodology combining in situ transmission small-angle and wide-angle X-ray scattering (SAXS and WAXS) at synchrotron radiations [43] allows the comprehensive understanding of stretch-induced microstructural evolution of high-efficiency ternary OSC active layers and how they vary with blend compositions (Figure 1a). Specifically, we introduce a highly ductile conjugated polymer P(NDI2OD-T2) (also broadly known as N2200, see Figure 1a) of notable interest in field-effect transistors [44][45][46] and all-polymer solar cells [47,48] into one of the best-performance polymer:NF-SMA blend (i.e., PM6:N3, Figure 1a) [49] to modulate the morphology and stretchability.…”

Section: Introductionmentioning

confidence: 99%

Unraveling the Stretch‐Induced Microstructural Evolution and Morphology–Stretchability Relationships of High‐Performance Ternary Organic Photovoltaic Blends

et al. 2022

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The stretchability and stretch‐induced structural evolution of organic solar cells (OSCs) are pivotal for their collapsible, portable, and wearable applications, and they are mainly affected by the complex morphology of active layers. Herein, a highly ductile conjugated polymer P(NDI2OD‐T2) is incorporated into the active layers of high‐efficiency OSCs based on nonfullerene small molecule acceptors to simultaneously investigate the morphological, mechanical, and photovoltaic properties and structural evolution under stretching of ternary blend films with various acceptor contents. The structural robustness of the blend films is indicated by their stretch‐induced structural evolution, which is monitored in real‐time by a combination of in situ wide/small angle X‐ray scattering. It is found that adding the soft P(NDI2OD‐T2) can enhance the stretchability and structural robustness of ternary blend films by more entangled chains and tie chains to dissipate strain. Furthermore, the stretchability of the ternary blends can be superbly predicted by a 3D equivalent box model. This work provides instructive insight and guidance for designing stretchable electronics and predicting the stretchability of multicomponent blends.

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Section: Introductionmentioning

confidence: 99%

Unraveling the Stretch‐Induced Microstructural Evolution and Morphology–Stretchability Relationships of High‐Performance Ternary Organic Photovoltaic Blends

et al. 2022

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“…Grazing incidence wide‐angle X‐ray scattering (GIWAXS) was performed to study the intrinsic molecular packing and orientations of the neat acceptors. [ 29 ] The line‐cut profiles of the in‐plane (IP) and out‐of‐plane (OOP) dimensions are shown in Figures 1d and 1e, respectively. The weak diffraction peaks in the ITIC‐series acceptors confirmed their inferior crystallinity and reduced interactions in the films.…”

Section: Resultsmentioning

confidence: 99%

Over 19% Efficiency Organic Solar Cells by Regulating Multidimensional Intermolecular Interactions

et al. 2023

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Power-conversion efficiencies (PCEs) higher than 19% have been realized from single-junction organic photovoltaics. [4][5][6][7][8] Moreover, ongoing studies on morphology control, energy loss, photophysical analysis, and photon utilization improve our understanding of the photoelectric conversion processes and motivate the development of OSCs. [9][10][11][12][13][14][15][16][17][18] Fundamental intermolecular interactions are widely known, important, and ubiquitous; however, their complicated impact on organic photovoltaics have not been comprehensively researched.Intermolecular interactions, including those between like and unlike molecules, are prevalent in OSCs. Apart from interactions between different layers, [19] intermolecular interactions play complicated roles in heterojunction active layers, owing to multiple-component mixed systems involving thermodynamics and kinetics procedures. [20] Brédas et al. illustrated the detailed relationship between donor/acceptor (D/A) interactions and polarizability, the charge-transfer state, and charge-separated state in fullerene solar cells, thereby highlighting the significance of interactions from the perspective of theoretical simulations. [21] Hou et al. controlled D/A interactions using halogenated end-caps of acceptors and Research on organic solar cells (OSCs) has progressed through material innovation and device engineering. However, well-known and ubiquitous intermolecular interactions, and particularly their synergistic effects, have received little attention. Herein, the complicated relationship between photovoltaic conversion and multidimensional intermolecular interactions in the active layers is investigated. These interactions are dually regulated by side-chain isomerization and end-cap engineering of the acceptors. The phenylalkyl featured acceptors (LA-series) exhibit stronger crystallinity with preferential face-on interactions relative to the alkylphenyl attached isomers (ITIC-series). In addition, the PM6 and LA-series acceptors exhibit moderate donor/acceptor interactions compared to those of the strongly interacting PM6/ITIC-series pairs, which helps to enhance phase separation and charge transport. Consequently, the output efficiencies of all LA series acceptors are over 14%. Moreover, LA-series acceptors show appropriate compatibility, host/guest interactions, and crystallinity relationships with BTP-eC9, thereby leading to uniform and well-organized "alloy-like" mixed phases. In particular, the highly crystalline LA23 further optimizes multiple interactions and ternary microstructures, which results in a high efficiency of 19.12%. Thus, these results highlight the importance of multidimensional intermolecular interactions in the photovoltaic performance of OSCs.The ORCID identification number(s) for the author(s) of this article can be found under https://doi.org/10.1002/adma.202208986.

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“…To avoid detector saturation, two beam stops were placed before the detector to block the direct incident beam and reflected beam. The GISAXS data was acquired at certain temperature points (start from 30 °C, collecting step is 10 °C) with an exposure time of 15 s. One-dimensional experimental data were obtained with the SGTools software package programmed by Zhao et al The peak position and full width at half-maximum (fwhm) were obtained by fitting the in-plane scattering profiles, the commonly used fitting formulas are Lorentzian and Gaussian functions: ,− where ω is the full width at half-maximum (fwhm).…”

Section: Methodsmentioning

confidence: 99%

“…However, although morphological features can be visually characterized via AFM, these analytical strategies can obtain only the local structural information and surface morphology, and they cannot be used to observe the structure in the direction of depth. With the development of synchrotron radiation techniques, grazing-incidence small-angle X-ray scattering (GISAXS) has become a powerful tool for observing the phase separation and rearrangement of molecular chains in BCP films. − For example, using in situ GISAXS, Gu et al investigated the self-assembly process of annealed polystyrene- block -poly(2-vinylpyridine) (PS- b -P2VP) . They discovered that the block copolymer molecule first shifts into a disordered state when the temperature reaches the order–disorder transition temperature.…”

Section: Introductionmentioning

confidence: 99%

In Situ Grazing-Incidence SAXS Investigation of Thermal-Induced Self-Assembly Process of PS-b-PMMA Films Deposited on Surface-Modified Substrate

et al. 2022

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Directed self-assembly of block copolymers (BCPs) is widely investigated for its potential application in surface patterning. The self-assembly kinetics of BCP based on modified layers is the key to realizing structural control for obtaining highly ordered lamellar grains. In this study, morphological evolution of PS-b-PMMA films during the thermal-induced self-assembly process was investigated via the in situ grazing-incidence small-angle X-ray scattering (GISAXS) technique. In the first heating stage, reorientation of lamellar grains occurred as the temperature increased above the glass transition temperature. Then, a fast increase in the lamellar repeat period L 0 was observed, which is considered as a phase separation process. Whereas the size of the lamellar grain ξ was observed to have rapidly increased in the stage wherein the temperature was held at 230 °C, the L 0 was almost constant. This result indicates that the formation of ordered structure in PS-b-PMMA films was mainly determined by two periods: phase separation of block molecules followed by growth of grains in the nanodomain. In addition, it was interesting that the better-order nanodomains were obtained with thermal annealing at a faster heating rate. These findings suggest that accomplishing ordered structure control in a large area could be realized via the design of a proper heating profile.

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SGTools: a suite of tools for processing and analyzing large data sets from in situ X-ray scattering experiments

Cited by 19 publications

References 56 publications

Unraveling the Stretch‐Induced Microstructural Evolution and Morphology–Stretchability Relationships of High‐Performance Ternary Organic Photovoltaic Blends

Unraveling the Stretch‐Induced Microstructural Evolution and Morphology–Stretchability Relationships of High‐Performance Ternary Organic Photovoltaic Blends

Over 19% Efficiency Organic Solar Cells by Regulating Multidimensional Intermolecular Interactions

In Situ Grazing-Incidence SAXS Investigation of Thermal-Induced Self-Assembly Process of PS-b-PMMA Films Deposited on Surface-Modified Substrate

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