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A method is presented to manipulate the final morphology of roll-to-roll slot-die coated poly(3-hexylthiophene) (P3HT) by optically exciting the p-type polymer in solution while coating. These results provide a comprehensive picture of the entire knowledge chain, from demonstrating how to apply the authors’ method to a fundamental understanding of the changes in morphology and physical properties induced by exciting P3HT while coating. By combining results from density functional theory and molecular dynamics simulations with a variety of X-ray experiments, absorption spectroscopy, and THz spectroscopy, the relationship between morphology and physical properties of the thin film is demonstrated. Specifically, in P3HT films excited with light during deposition, changes in crystallinity and texture with more face-on orientation and increased out-of-plane charge mobility are observed.

Organic Solar Cells (OSCs) have reached the highest efficiencies using lab-scale device manufacturing on active areas far below 0.1 cm2. The most used fabrication technique is spin-coating, which has poor potential for upscaling and substantial material waste. This tends to widen the so-called “lab-to-fab gap”, which is one of the most important challenges to make OSCs competitive. Other techniques such as blade or slot-die coating are much more suitable for roll-to-roll manufacturing, which is one of the advantages the technology presents due to the huge potential for fast and low-cost fabrication of flexible OSCs. However, only a few studies report solar cells using these fabrication techniques, especially applied on a roll-platform. Additionally, for environmentally friendly large area OSCs, inks based on non-hazardous solvent systems are needed. In this work, slot-die coating has been chosen to coat a PM6:Y6 active layer, using o-xylene, a more environmentally friendly alternative than halogenated solvents, and without additives. The optimal coating process is defined through fine-tuning of the coating parameters, such as the drying temperature and solution concentration. Moreover, ternary devices with PCBM, and fully printed devices are also fabricated. Power conversion efficiencies of 6.3% and 7.2% are achieved for binary PM6:Y6 and ternary PM6:Y6:PCBM devices measured with an aperture area of ∼0.4 cm2 (total device area ∼0.8 cm2).

We present an in-house, in situ Grazing Incidence Small Angle X-ray Scattering (GISAXS) experiment, developed to probe the drying kinetics of roll-to-roll slot-die coating of the active layer in organic photovoltaics (OPVs), during deposition. For this demonstration, the focus is on the combination of P3HT:O-IDTBR and P3HT:EH-IDTBR, which have different drying kinetics and device performance, despite their chemical structure only varying slightly by the sidechain of the small molecule acceptor. This article provides a step-by-step guide to perform an in situ GISAXS experiment and demonstrates how to analyze and interpret the results. Usually, performing this type of in situ X-ray experiments to investigate the drying kinetics of the active layer in OPVs relies on access to synchrotrons. However, by using and further developing the method described in this paper, it is possible to perform experiments with a coarse temporal and spatial resolution, on a day-to-day basis to gain fundamental insight in the morphology of drying inks.

Organic solar cells (OSCs) have increased their power conversion efficiency above 18% thanks to the use of non-fullerene acceptors in binary or ternary blends or in tandem configurations. In this article, a study on the lifetime of P3HT:O-IDTBR bulk heterojunction OSCs on ITO-free flexible substrates is presented. A direct comparison of glass–glass and plastic–plastic encapsulation performance, with a special focus on its effect on the lifetime of the devices after degradation procedures, has been carried out complying with the ISOS protocols for organic photovoltaic devices. The manufactured OSCs with 1 cm2 active layer have power conversion efficiencies ranging from 1.9 to 3.4% depending on the encapsulant material, encapsulation process, and substrate. An exponential degradation rate has been found, with a similar functional behavior for glass and plastic differing in the degradation constants, which ranges from k = 0.01 to 0.002 h−1. Only in one case, the ISOS-T3 essay for plastic encapsulation, a double exponential process, was observed with degradation rates of k1 = 0.03 h−1 and a second slower process with k2 = 0.001 h−1. The longest achieved T80 lifetime is 86 h for glass-encapsulated devices under an accelerated ISOS-T3 protocol.

Due to their potential for solar energy harvesting and storage, molecular solar thermal energy storage (MOST) materials are receiving wide attention from both the research community and the public. MOST materials absorb photons and convert their energy to chemical energy, which is contained within the bonds of the MOST molecules. Depending on the molecular structure, these materials can store up to 1 MJ/kg, at ambient temperature and with storage times ranging from minutes to several years. This work is the first to thoroughly investigate the potential of MOST materials for the development of energy saving windows. To this end, the MOST molecules are integrated into thin, optically transparent films, which store solar energy during the daytime and release heat at a later point in time. A combined experimental and modeling approach is used to verify the system's basic functionality and identify key parameters. Multi-physics modeling and simulation were conducted to evaluate the interaction of MOST films with light, both monochromatic and the entire solar spectrum, as well as the corresponding dynamic energy storage. The model was experimentally verified by studying the optical response of thin MOST films containing norbornadiene derivatives as a functional system. We found that the MOST films act as excellent UV shield and can store up to 0.37 kWh/m2 for optimized MOST molecules. Further, this model allowed us to screen various material parameters and develop guidelines on how to optimize the performance of MOST window films.

The mark of 18% power conversion efficiency (PCE) was recently overcome by laboratory-scale organic solar cells (OSCs) thanks to the development of nonfullerene acceptors (NFAs). NFA-based solar cells show improved performance and stability compared with those of their fullerene-acceptor-based counterparts. However, only a few studies focus on scalable deposition techniques or roll-to-roll compatible processing, which is of paramount importance for the commercialization of the technology. Here, we report a simple and fast fabrication of slot-die-coated poly(3-hexylthiophene-2,5-diyl):(5Z,5'Z)-5,5'-{7,7'-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl)]bis(methanylylidene)}bis(3-ethyl-2-thioxothiazolidin-4-one) (P3HT:O-IDTBR) OSCs using a roll platform on flexible ITO-free substrates under ambient conditions. We show that the optical band gap of the active layer increases when an isopropanol-diluted poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) hole-transport layer is coated on top of it, changing the device properties. Optimization of the coating conditions leads to the achievement of up to 3.6% PCE for single cells of $1\phantom{\rule{0.1em}{0ex}}{\mathrm{cm}}^{2}$ fabricated under ambient conditions with flexographic printed $\mathrm{Ag}$ back electrodes, compared with solar cells with evaporated Ag (3.8% PCE), $\mathrm{Au}$ (2.1% PCE), or $\mathrm{Cu}$ (3.0% PCE) back contacts. OSCs with larger areas of $4\phantom{\rule{0.1em}{0ex}}{\mathrm{cm}}^{2}$ with 2.3% PCE are also fabricated, where the fast increase of the series resistance with the area is the main PCE-limiting factor. The efficiencies herein reported for NFAs obtained by roll processing show the excellent potential of the P3HT:O-IDTBR blend for large-scale fabrication.

We present a procedure for simulating solution deposition of organic thin-films on explicitly modeled substrates via solvent evaporation simulations in a molecular dynamics framework. Additionally, we have developed force fields for the family of IDTBR nonfullerene acceptors, which have been widely employed in the literature as $n$-type materials in several types of organic semiconductor devices, and we analyzed their structure-property relationships using a combination of grazing incidence x-ray scattering measurements, atomistic molecular dynamics simulations, and quantum chemical calculations. We find that thermal fluctuations can have a significant impact on calculated electron transfer integrals, and that the $\ensuremath{\pi}$-stacking interactions of the electron withdrawing benzothiadiazole building blocks are key to high electron coupling in amorphous thin films of $n$-type materials.

A round-robin proficiency test (RR PT) on thin-film multi-junction (MJ) photovoltaic (PV) cells was run between 13 laboratories within the European project CHEETAH. Five encapsulated PV cells were circulated to participants for being tested at Standard Test Conditions (STC). Three cells were a-Si/μc-Si tandem PV devices, each of which had a different short-circuit current ratio between the top junction and the bottom one; the remaining two cells were single-junction PV devices made with material representative of the individual junctions in the MJ cells. The RR PT's main purpose was to assess the capability of the participating laboratories, in terms of employed facilities and procedures, to test MJ PV devices. Therefore, participants were requested to perform STC measurements of all cells according to their own procedure, which might not include external quantum efficiency measurements. The European Solar Test Installation (ESTI) of the Joint Research Centre (JRC) provided the reference calibrations against which the participants' results are compared. ESTI made also a verification of the cells performance at STC at the end of the RR PT, in order to allow a comparison between the initial stable state at which the cells were calibrated (just before circulation) and the one they had reached at the end of the RR PT. The overall results of the RR PT are here presented and discussed together with some aspects of MJ PV testing that emerged as not adequately applied or largely missing. Their full implementation is expected to improve the consistency of future results.

The Cu2ZnSnS4 kesterite is currently among the most promising inorganic, nontoxic, earth-abundant materials for a new generation of solar cells. Interfacial defects and secondary phases present in the kesterite active layer are, however, detrimental to the performance of the device. They are typically probed with techniques that aredestructive or limited to the surface, and x-ray diffraction cannot reliably distinguish small amounts of zinc sulfide or copper tin sulfide from kesterite. Conversely, resonant ptychographic tomography, which relies on electron density contrast, overcomes these limitations. Here, we demonstrate how this technique can enable localization and quantification of secondary phases, along with measurements of adherence at the interfacial layers, on complete and functioning devices. In our experiment, we utilize an x-ray energy value far from absorption edges as well as three single energies corresponding to the absorpion edges of Cu, Zn, and Sn, to gain elemental sensitivity to these elements and enhance contrast between phases with similar electron density.As a result, we image and identify in the active layer grains of a secondary phase, namely, zinc sulfide, which is not easily discriminated by other standard characterization techniques. In addition, we are able to observe Cu diffused from the active layer into the CdS buffer layer as well as Cu in the form of coper sulfide at their interface. Other relevant morphological features are best resolved off-resonance at the optimal energy for the synchrotron beamline with ∼20 nm resolution.

We demonstrate a non-destructive approach to provide structural properties on the grain level for the absorber layer of kesterite solar cells. Kesterite solar cells are notoriously difficult to characterize structurally due to the co-existence of several phases with very similar lattice parameters. Specifically, we present a comprehensive study of 597 grains in the absorber layer of a 1.64% efficient Cu2ZnSnS4 (CZTS) thin-film solar cell, from which 15 grains correspond to the secondary phase ZnS. By means of three dimensional X-ray diffraction (3DXRD), we obtained statistics for the phase, size, orientation, and strain tensors of the grains, as well as their twin relations. We observe an average tensile stress in the plane of the film of ~ 70 MPa and a compressive stress along the normal to the film of ~ 145 MPa. At the grain level, we derive a 3D stress tensor that deviates from the biaxial model usually assumed for thin films. 41% of the grains are twins. We calculate the frequency of the six types of $\Sigma$3 boundaries, revealing that 180{\deg} rotations along axis is the most frequent. This technique can be applied to polycrystalline thin film solar cells in general, where strain can influence the bandgap of the absorber layer material, and twin boundaries play a role in the charge transport mechanisms., Comment: 28 pages, 12 figures, 4 tables

Owing to changes in their chemistry and structure, polymers can be fabricated to demonstrate vastly different electrical conductivities over many orders of magnitude. At the high end of conductivity is the class of conducting polymers, which are ideal candidates for many applications in low-cost electronics. Here, we report the influence of the nature of the doping anion at high doping levels within the semi-metallic conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) on its electronic transport properties. Hall effect measurements on a variety of PEDOT samples show that the choice of doping anion can lead to an order of magnitude enhancement in the charge carrier mobility > 3 cm2/Vs at conductivities approaching 3000 S/cm under ambient conditions. Grazing Incidence Wide Angle X-ray Scattering, Density Functional Theory calculations, and Molecular Dynamics simulations indicate that the chosen doping anion modifies the way PEDOT chains stack together. This link between structure and specific anion doping at high doping levels has ramifications for the fabrication of conducting polymer-based devices, The authors acknowledge the European Research Council (ERC-starting-grant 307596), the Swedish foundation for strategic research (project: “Nano-material and Scalable TE materials”), the Knut and Alice Wallenberg foundation (project “Power Paper” and “Tail of the Sun”), The Swedish Energy Agency (3833221), the Swedish Research Council via “Research Environment grant” on “Disposable paper fuel cells” (2016205990), and the Advanced Functional Materials Center at Linköping University. The authors thank Masatsugu Yamashita from the THz Sensing & Imaging Lab at RIKEN in Japan for conducting the THz reflectance spectroscopy experiments. D.R. Evans acknowledges the support of the Australian Research Council through the Future Fellowship scheme (FT160100300). J.W. Andreasen acknowledges the support of the European Research Council (ERC-consolidator-grant 681881). The computations were performed on resources provided by the Swedish National Infrastructure for Computing (SNIC) at NSC.

Microstructured surfaces have great potentials to improve the performances and efficiency of optoelectronic devices. In this work, a simple robust approach based on surface instabilities was presented to fabricate poly(3-hexylthiophene-2,5-diyl) (P3HT) films with ridge-like/wrinkled composite microstructures. Namely, the hierarchically patterned films were prepared by spin coating the P3HT/tetrahydrofuran (THF) solution on a polydimethylsiloxane (PDMS) substrate to form stable ridge-like structures, followed by solvent vapor swelling to create surface wrinkles with the orientation guided by the ridge-like structures. During spin coating of the P3HT/THF solution, the ridge-like structures were generated by the in-situ template of the THF swelling-induced creasing structures on the PDMS substrate. To our knowledge, it is the first report that the creasing structures are used as a recoverable template for patterning films. The crease-templated ridge-like structures were well modulated by the THF swelling time, the modulus of the PDMS substrate, the P3HT/THF solution concentration and the selective/blanket exposure of the PDMS substrate to O2 plasma. UV–vis and fluorescence spectrometry measurements indicated that the light absorption and fluorescent emission were improved on the hierarchically patterned P3HT films, which can be utilized to enhance the efficiencies of organic solar cells. Furthermore, this simple versatile method based on the solvent swelling-induced crease as the in-situ recoverable template has been extended to pattern other spin-coated films with different compositions. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 928–939

Coherent diffractive imaging (CDI) experiments are adequately simulated assuming the thin sample approximation and using a Fresnel or Fraunhofer wavefront propagator to obtain the diffraction pattern. Although this method is used in wave-based or hybrid X-ray simulators, here the applicability and effectiveness of an alternative approach that is based solely on ray tracing of Huygens wavelets are investigated. It is shown that diffraction fringes of a grating-like source are accurately predicted and that diffraction patterns of a ptychography dataset from an experiment with realistic parameters can be sampled well enough to be retrieved by a standard phase-retrieval algorithm. Potentials and limits of this approach are highlighted. It is suggested that it could be applied to study imperfect or non-standard CDI configurations lacking a satisfactory theoretical formulation. The considerable computational effort required by this method is justified by the great flexibility provided for easy simulation of a large-parameter space.

We present an alternative numerical reconstruction algorithm for direct tomographic reconstruction of a sample's refractive indices from the measured intensities of its far-field coherent diffraction patterns. We formulate the well-known phase-retrieval problem in ptychography in a tomographic framework which allows for simultaneous reconstruction of the illumination function and the sample's refractive indices in three dimensions. Our iterative reconstruction algorithm is based on the Levenberg-Marquardt algorithm and we demonstrate the performance of our proposed method with simulated and real datasets.

Composites of biopolymers and conducting polymers are emerging as promising candidates for a green technological future and are actively being explored in various applications, such as in energy storage, bioelectronics, and thermoelectrics. While the device characteristics of these composites have been actively investigated, there is limited knowledge concerning the fundamental intracomponent interactions and the modes of molecular structuring. Here, by use of cellulose and poly(3,4-ethylene-dioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), it is shown that the chemical and structural makeup of the surfaces of the composite components are critical factors that determine the materials organization at relevant dimensions. AFM, TEM, and GIVVAXS measurements show that when mixed with cellulose nanofibrils, PEDOT:PSS organizes into continuous nanosized beadlike structures with an average diameter of 13 nm on the nanofibrils. In contrast, when PEDOT:PSS is blended with molecular cellulose, a phase-segregated conducting network morphology is reached, with a distinctly relatively lower electric conductivity. These results provide insight into the mechanisms of PEDOT:PSS crystallization and may have significant implications for the design of conducting biopolymer composites for a vast array of applications. Funding Agencies|Energimyndigheten [P43561-1]; Stiftelsen far Strategisk Forskning

We report on a novel room temperature approach for the synthesis of environmentally-friendly copper zinc tin sulfide ($Cu_2ZnSnS_4$) nanoparticles. The method is shown to be compositionally robust and able to produce $S^{2-}$-stabilized carbon-free nanoparticle inks that are suitable for an absorber layer in solar cells. No organic residues from the process were detected. The metal-composition and the occurrence of secondary phases is here correlated with synthesis conditions: By utilizing a reactant concentration of Cu/Sn < 1.8 and Sn(II) as tin-source it is possible to avoid the formation of $Cu_xS$-phases, which are detrimental for the solar cell performance when present in the final absorber layer. With nanoparticle sizes approaching the Bohr radius for $Cu_2ZnSnS_4$, the band gap can be broadened up to 1.7 eV. In addition, the conditions for forming stable, carbon-free aqueous inks of such $Cu_2ZnSnS_4$ nanoparticles are investigated and the stabilizing $NH_4^+/S^{2-}$-ion concentration affects the quality of the deposited absorber layer. The use of room temperature synthesis and stable aqueous ink formulations make the method suitable for roll-to-roll fabrication and upscaling.

Grazing incidence X-ray ptychography is a promising technique for investigation of thin sub-monolayer films of nanoparticles. Preliminary results on a reconstruction of a test sample are presented. A potential impact for characterization of surface energy, particle size and growth due to Ostwald ripening is expected.

Ultrafast, light-induced dynamics in copper-zinc-tin-sulfide (CZTS) photovoltaic nanoparticles are investigated through a combination of optical and x-ray transient absorption spectroscopy. Laser-pump, x-ray-probe spectroscopy on a colloidal CZTS nanoparticle ink yields element-specificity, which reveals a rapid photo-induced shift of electron density away from Cu-sites, affecting the molecular orbital occupation and structure of CZTS. We observe the formation of a stable charge-separated and thermally excited structure, which persists for nanoseconds and involves an increased charge density at the Zn sites. Combined with density functional theory calculations, the results provide new insight into the structural and electronic dynamics of CZTS absorbers for solar cells.

The design and performance of a novel micro-reactor in situ flow cell permitting investigation of model catalysts with grazing-incidence small- and wide-angle X-ray scattering is presented., The design, fabrication and performance of a novel and highly sensitive micro-reactor device for performing in situ grazing-incidence X-ray scattering experiments of model catalyst systems is presented. The design of the reaction chamber, etched in silicon on insulator (SIO), permits grazing-incidence small-angle X-ray scattering (GISAXS) in transmission through 10 µm-thick entrance and exit windows by using micro-focused beams. An additional thinning of the Pyrex glass reactor lid allows simultaneous acquisition of the grazing-incidence wide-angle X-ray scattering (GIWAXS). In situ experiments at synchrotron facilities are performed utilizing the micro-reactor and a designed transportable gas feed and analysis system. The feasibility of simultaneous in situ GISAXS/GIWAXS experiments in the novel micro-reactor flow cell was confirmed with CO oxidation over mass-selected Ru nanoparticles.

In this paper, we investigate three diketopyrrolopyrrole (DPP) based small molecular non-fullerene acceptors, namely Ph(DPP)3, Ph(DPP)2, and PhDMe(DPP)2, focusing on molecular geometry effects on the frontier orbital level, light absorption, molecular configuration, electron mobility, thin film morphology, and photovoltaic performance of both spin-coated ITO based and roll coated large area, ITO- and vacuum-free organic solar cells (OSCs). For spin-coated devices based on P3HT as the donor polymer the solar cells gave power conversion efficiencies (PCEs) in the following order for (P3HT:PhDMe(DPP)2, 0.65%) > (P3HT:Ph(DPP)2, 0.48%) > (P3HT:Ph(DPP)3, 0.31%). All devices present an open circuit voltage (Voc) higher than 1.0 V. For the roll-coated devices, the PCEs were found to fall in another order and with lower values (P3HT:Ph(DPP)3, 0.54%) > (P3HT:Ph(DPP)2, 0.43%) > (P3HT:PhDMe(DPP)2, 0.04%) and the highest Voc was 0.82 V. Our preliminary results highlight the influence of geometry, structure and processing on the performance of non-fullerene acceptors.

In an effort to understand recent results showing differences between the power conversion efficiencies of lead halide (CH3NH3PbI3−xClx) solar cells on glass versus flexible substrates, this study investigates the influence that substrate and processing methods have on morphological and crystallographic development. Using our in situ slot-die micro roll-to-roll coater setup, we measured small and wide angle X-ray scattering in grazing incidence while the material dried, enabling us to follow the crystallization from just after the deposition and up to 25 minutes later. The data showed differing crystallographic developments between the substrates, especially seen through the behaviour of a crystalline precursor which survived longer on the flexible substrates than on glass. Additionally, the common degradation product PbI2 was absent on the thickest flexible substrate. This leads us to conjecture that the flexible substrates absorb part of the solvent, thereby delaying evaporation and changing the solvent environment around the perovskite. As a further test, we produced solar cells with the same substrates and confirmed that the ones made on flexible substrates performed worse than those made on glass, but that when including an ITO layer in the stack it seemed to act as a buffer, whereby the solar cell performance was improved.

Phosphoric acid is amphoteric and has been used to dope basic polymer, e.g. polybenzimidazole, membranes and acidic polymer, e.g. perfluorosulfonic acid, membranes. Both membrane systems exhibit high proton conductivities at temperatures above 100 °C under anhydrous conditions. The former has been developed into a commercial fuel cell technology while the latter can only deliver a few mA cm−2 in fuel cells and hydrogen pumping cells. In this work, it is experimentally verified that the current window of acid doped perfluorosulfonic acid membranes in electrochemical cells under dry conditions is limited by the migration of H4PO4 + species in combination with the slow H3PO4 diffusion. The phosphoric acid dynamics were monitored in a cell equipped with integrated reference electrodes in the electrolyte membrane, which allowed for quantification of the phosphoric acid in different membrane segments. From the time-resolved measurements, the H4PO4 + transference number was found to be as high as 52% under dry conditions. In combination with the slow H3PO4 back-diffusion, which was 5–6 orders of magnitude lower than that of water, the migration of H4PO4 + towards the cathode results in rapid resistance increase at the anode-membrane interface, ultimately leading to the cell failure.

Organic solar cells have recently experienced a substantial leap in power conversion efficiency, in part driven by formulations with new non-fullerene acceptors. This has brought the technology past the psychologically important mark of 15% efficiency for unscaled laboratory devices, and the results are stimulating another burst of research activity. Whether this will propel the technology into a viable commercial contender has yet to be determined, but to realize the potential of organic solar cells for utility scale application, fabrication using scalable processing techniques has to be demonstrated—otherwise, the passing of the 15% mark will eventually leave no more lasting impact than what the passing of the 10% mark did. Thus, addressing the scaling lag between the 15% cell efficiencies of lab-scale devices on rigid glass substrates fabricated using non-scalable techniques and the 7% efficiencies of scalably fabricated devices on flexible substrates is key. Here, we discuss the concept of scalability and give an account of the literature on non-fullerene acceptor devices fabricated with scalable methods and materials. On the basis of this, we identify three crucial focus points for overcoming the lab-to-fab challenge: (i) dual temperature control, i.e. simultaneous control of the ink and substrate temperatures during deposition, (ii) systematic in situ morphology studies of active layer inks with new, green solvent formulations during continuous deposition, and (iii) development of protocols for continuous solution processing of smooth, transparent interfacial layers with efficient charge transfer to the active layer. Combining these efforts and in general accompanying such studies with stability analyses and fabrication of large-area, scalably processed devices are believed to accelerate the relevance of organic solar cells for large-scale energy supply.

Poly(perfluorosulfonic acid) (PFSA) is one of a few polymer types that combine excellent alkali resistance with extreme hydrophilicity. It is therefore of interest as a base material in separators for alkaline water electrolyzers. In the pristine form it, however, shows high cation selectivity. To increase its ion conductivity in aqueous KOH, a method for the preparation of porous PFSA membranes was developed. It was based on an approach where PFSA was co-cast with poly(vinylpyrrolidone) (PVP) at different ratios to give transparent and colorless blend membranes. The PVP was subsequently dissolved and washed out and the obtained porous materials allowed for swelling to reach water contents up to λ =85 [H 2 O] [−SO 3 K] −1 . After equilibration in 22 wt% aqueous KOH, ion conductivity of 0.2 S cm −1 was recorded for this membrane type at room temperature, which is significantly higher than 0.01 S cm −1 for the unmodified membrane. The technological feasibility was demonstrated by testing the membranes in an alkaline water electrolysis cell with encouraging performance.

Phase-contrast three-dimensional tomograms showing in unprecedented detail the mechanical response of a micro-composite subjected to a mechanical compression test are reported. The X-ray ptychography images reveal the deformation and fracture processes of a 10 μm diameter composite, consisting of a spherical polymer bead coated with a nominally 210 nm metal shell. The beginning delamination of the shell from the core can be directly observed at an engineering strain of a few percent. Pre-existing defects are shown to dictate the deformation behavior of both core and shell. The strain state of the increasingly compressed polymer core is assessed quantitatively through the local densification at sub-micron resolution, supported by finite element analysis. Nanoscale mechanics is of rapidly growing importance in materials science, biotechnology and medicine, and this study demonstrates the use of coherent X-ray microscopy as a powerful tool for in situ studies of the mechanical properties of nanostructured devices, structures, and composites.

A nickel/spinel (Ni/MgAl_2O_4) catalyst, w(Ni) = 22 wt %, was investigated in situ during reduction with wide-angle X-ray scattering (WAXS) in a laboratory setup and with anomalous small-angle X-ray scattering (ASAXS) at a synchrotron source. Complementary high-resolution transmission electron microscopy (HRTEM) was performed on the fresh catalyst sample. The Ni particles in the fresh catalyst sample were observed to exhibit a Ni/NiO core-shell structure. A decrease of the Ni lattice parameter is observed during the reduction in a temperature interval from 413 to 453 K, which can be related to the reduction of the NiO shell, whereby stress due to the lattice mismatch of Ni and NiO is relieved.

Organic solar cells have great potential for upscaling due to roll-to-roll processing and a low energy payback time, making them an attractive sustainable energy source for the future. Active layers coated with water-dispersible Landfester particles enable greater control of the layer formation and easier access to the printing industry, which has reduced the use of organic solvents since the 1980s. Through ptychographic X-ray computed tomography (PXCT), we image quantitatively a roll-to-roll coated photovoltaic tandem stack consisting of one bulk heterojunction active layer and one Landfester particle active layer. We extract the layered morphology with structural and density information including the porosity present in the various layers and the silver electrode with high resolution in 3D. The Landfester particle layer is found to have an undesired morphology with negatively correlated top- and bottom interfaces, wide thickness distribution and only partial surface coverage causing electric short circuits through the layer. By top coating a polymer material onto the Landfester nanoparticles we eliminate the structural defects of the layer such as porosity and roughness, and achieve the increased performance larger than 1 V expected for a tandem cell. This study highlights that quantitative imaging of weakly scattering stacked layers of organic materials has become feasible by PXCT, and that this information cannot be obtained by other methods. In the present study, this technique specifically reveals the need to improve the coatability and layer formation of Landfester nanoparticles, thus allowing improved solar cells to be produced.

Water based inks would be a strong advantage for large scale production of organic photovoltaic devices. Formation of water dispersible nanoparticles produced by the Landfester method is a promising route to achieve such inks. We provide new insights into the key ink properties of poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) nanoparticles such as the internal structure and crystallinity of the dispersed nanoparticles and the previously unreported drastic changes that occur when the inks are cast into a film. We observe through transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS) that the nanoparticles in dispersion are spherical with the nanodomains of P3HT being partly crystalline. When wet processed and dried into films, the nanoparticles lose their spherical shape and become flattened into oblate shapes with a large aspect ratio. Most particles are observed to have a diameter 13 times of the particle height. After casting into a film, the crystal domains adopt a preferred orientation with the majority of the nanocrystals (68%) with face-on orientation to the substrate. We propose that low substrate surface energy is responsible for particle deformation and texturing.

Poly(ethylene oxide) (PEO) thin films of different thicknesses (220, 450, and 1500 nm) and molecular masses (4000, 8000, and 20 000 g/mol) have been fabricated by spin-coating of methanol solutions onto glass substrates. All these samples have been recrystallized from the melt using a directional thermal gradient technique. Millimeter-size domains with crystallites uniformly oriented in the direction of the thermal gradient are observed. Futhermore, the crystallites size and orientation distribution are enhanced (e.g., increases and decreases, respectively) when film thickness is decreased, ultimately leading to a single-crystal-like behavior for 220 nm thick PEO films of mass 8000 g/mol. Interestingly, this fine microstructure is partially retained after melting and subsequent cooling back to ambient temperature for the highest molecular weight polymer allowing, in this particular case, to significantly decrease the distribution of crystal orientation obtained after crystallization using the thermal grad...

Ladder-type “torsion-free” conducting polymers (e.g., polybenzimidazobenzophenanthroline (BBL)) can outperform “structurally distorted” donor–acceptor polymers (e.g., P(NDI2OD-T2)), in terms of conductivity and thermoelectric power factor. The polaron delocalization length is larger in BBL than in P(NDI2OD-T2), resulting in a higher measured polaron mobility. Structure–function relationships are drawn, setting material-design guidelines for the next generation of conducting thermoelectric polymers. Funded by:Knut and Alice Wallenberg FoundationSwedish Foundation for Strategic ResearchSwedish Governmental Agency for Innovation Systems - VINNOVA. Grant Number: 2015-04859Advanced Functional Materials Center at Linköping University. Grant Number: 2009-00971Alexander von Humboldt Foundation