Abstract:Optimization of a new system for organic solar cells is a multiparametric analysis problem that requires substantial efforts in terms of time and resources. The strong microstructure-dependent performance of polymer:polymer cells makes them particularly difficult to optimize, or to translate previous knowledge from spin coating into more scalable techniques. In this work, the photovoltaic performance of blade-coated devices was studied based on the promising polymer:polymer system PBDB-T and PF5-Y5 as donor an… Show more
“…Harillo et al have presented a HT study of variation of process conditions by blade coating, an upscalable method, producing >500 devices and varying 24 process conditions with the goal of maximizing PCE. [96,97] The ratio of localized amorphous regions and ordered regions (A a, chain ) should scale with the length of the ordered polymer chains. e) Gaussian Process Regression (GPR) to predict A a,chain from the process conditions.…”
Section: High Throughput Workflows To Assess Processing-morphology-pe...mentioning
Thanks to the development of novel electron acceptor materials, the power conversion efficiencies (PCE) of organic photovoltaic (OPV) devices are now approaching 20%. Further improvement of PCE is complicated by the need for a driving force to split strongly bound excitons into free charges, causing voltage losses. This review discusses recent approaches to finding efficient OPV systems with minimal driving force, combining near unity quantum efficiency (maximum short circuit currents) with optimal energy efficiency (maximum open circuit voltages). The authors discuss apparently contradicting results on the amount of exciton binding in recent literature, and approaches to harmonize the findings. A comprehensive view is then presented on motifs providing a driving force for charge separation, namely hybridization at the donor:acceptor interface and polarization effects in the bulk, of which quadrupole moments (electrostatics) play a leading role. Apart from controlling the energies of the involved states, these motifs also control the dynamics of recombination processes, which are essential to avoid voltage and fill factor losses. Importantly, all motifs are shown to depend on both molecular structure and process conditions. The resulting high dimensional search space advocates for high throughput (HT) workflows. The final part of the review presents recent HT studies finding consolidated structure–property relationships in OPV films and devices from various deposition methods, from research to industrial upscaling.
“…Harillo et al have presented a HT study of variation of process conditions by blade coating, an upscalable method, producing >500 devices and varying 24 process conditions with the goal of maximizing PCE. [96,97] The ratio of localized amorphous regions and ordered regions (A a, chain ) should scale with the length of the ordered polymer chains. e) Gaussian Process Regression (GPR) to predict A a,chain from the process conditions.…”
Section: High Throughput Workflows To Assess Processing-morphology-pe...mentioning
Thanks to the development of novel electron acceptor materials, the power conversion efficiencies (PCE) of organic photovoltaic (OPV) devices are now approaching 20%. Further improvement of PCE is complicated by the need for a driving force to split strongly bound excitons into free charges, causing voltage losses. This review discusses recent approaches to finding efficient OPV systems with minimal driving force, combining near unity quantum efficiency (maximum short circuit currents) with optimal energy efficiency (maximum open circuit voltages). The authors discuss apparently contradicting results on the amount of exciton binding in recent literature, and approaches to harmonize the findings. A comprehensive view is then presented on motifs providing a driving force for charge separation, namely hybridization at the donor:acceptor interface and polarization effects in the bulk, of which quadrupole moments (electrostatics) play a leading role. Apart from controlling the energies of the involved states, these motifs also control the dynamics of recombination processes, which are essential to avoid voltage and fill factor losses. Importantly, all motifs are shown to depend on both molecular structure and process conditions. The resulting high dimensional search space advocates for high throughput (HT) workflows. The final part of the review presents recent HT studies finding consolidated structure–property relationships in OPV films and devices from various deposition methods, from research to industrial upscaling.
“…6,7 High throughput methods, combined with machine learning and statistical analysis, have been established to accelerate the screening of these materials. [8][9][10][11][12] Coating techniques such as spin coating 13 and doctor blading, [14][15][16] as well as printing techniques, such as ink jet printing, 17 have been employed in this context. Simultaneous variation of two different parameters on a single substrate has been achieved by applying perpendicular gradients of annealing temperature and film thickness 16,18 and by thickness gradients of both absorber layers for tandem cells.…”
Commercialization of printed photovoltaics requires knowledge of the optimal composition and microstructure of the single layers, and the ability to control these properties over large areas under industrial conditions. While...
“…The progress of many important technologies such as solar cells, light‐emitting diodes, batteries, superconductors, and thermoelectrics rely on how fast materials are discovered or developed. Because the best materials are often a blend of multiple components, high‐throughput experimentations (HTEs), [ 1–33 ] both for making and studying mixtures/alloys, have recently gained major attention. [ 2 ] However, state‐of‐art HTEs are unfortunately able to make only a fraction of possible compositions and then employ machine learning algorithms to extrapolate to unmade compositional space.…”
Many devices heavily rely on combinatorial material optimization. However, new material alloys are classically developed by studying only a fraction of giant chemical space, while many intermediate compositions remain unmade in light of the lack of methods to synthesize gapless material libraries. Here report a high‐throughput all‐in‐one material platform to obtain and study compositionally‐tunable alloys from solution is reported. This strategy is applied to make all CsxMAyFAzPbI3 perovskite alloys (MA and FA stand for methylammonium and formamidinium, respectively), in less than 10 min, on a single film, on which 520 unique alloys are then studied. Through stability mapping of all these alloys in air supersaturated with moisture, a range of targeted perovskites are found, which are then chosen to make efficient and stable solar cells in relaxed fabrication conditions, in ambient air. This all‐in‐one platform provides access to an unprecedented library of compositional space with no unmade alloys, and hence aids in a comprehensive accelerated discovery of efficient energy materials.
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