Crystal Orientation and Grain Size: Do They Matter for Optoelectronic Properties of MAPbI3 Perovskite?

Muscarella, Loreta A.; Hutter, Eline M.; Sánchez, Sandy; Dieleman, Christian D.; Savenije, Tom J.; Hagfeldt, Anders; Saliba, Michael; Ehrler, Bruno

doi:10.29363/nanoge.nfm.2019.157

Cited by 5 publications

(6 citation statements)

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“…6 Besides the efficiency benchmarking, there have also been advances in understanding the chemistry, physics, and device chemical physics of these cells both from a theoretical and experimental side. 7−17 The grain-scale microstructure of perovskite thin films has also been studied 18 and optimized, with particular attention on increasing the average grain size 19,20 but with little focus on the influence of the distribution of sizes.…”

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confidence: 99%

“…22 In other cases, single crystal grains protrude throughout the entire film's thickness, and hence, grain boundaries would only be present at the vertical surfaces separating the grains. 21 Moreover, some reports claim that the grain boundaries and hence the grain size are not important, 19 and others show that there is an advantage to larger grains. 21,23,24 In our discussion, we will refer to vertical grain surfaces as grain boundaries and to horizontal ones as interfaces (see Figure 1b).…”

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confidence: 99%

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Spatial Distribution of Solar Cell Parameters in Multigrain Halide-Perovskite Films: A Device Model Perspective

Bitton

Vaynzof

et al. 2021

ACS Appl. Energy Mater.

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The polycrystalline nature of perovskite thin films suggests that the nonradiative recombination losses may be grain size dependent. We use measured grain size distributions of methylammonium lead triiodide layers to describe the macroscopic solar cell as composed of multiple single grain size cells operating in parallel. Using a model, we show that the grain size distribution results in spatial dispersion of the local open-circuit voltage (0.9–1.15 V), fill factor (50–82%), and power conversion efficiency (7.5–19%). When the device is held at open-circuit voltage, there is significant current exchange between large and small grains. Smaller grains are a “parasitic shunt” for the larger grains.

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confidence: 99%

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confidence: 99%

Spatial Distribution of Solar Cell Parameters in Multigrain Halide-Perovskite Films: A Device Model Perspective

Bitton

Vaynzof

et al. 2021

ACS Appl. Energy Mater.

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“…It is well-known that the grain and grain boundary behaves very differently in solution-fabricated perovskite solar cells (PSCs). 18 However, recent reports identified that these "grains" observed by scanning electron microscopy (SEM) without diffraction information might consist of subgrains with different crystal orientations identified by electron backscattered diffraction (EBSD), 19 which are technically inaccurate to be termed as "grains" in the crystallographic definition. In this context, the term "morphological domain" specifically refers to the "domain" identified as "grain" in the SEM measurement in previous investigations.…”

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confidence: 99%

Visualizing the Impact of Light Soaking on Morphological Domains in an Operational Cesium Lead Halide Perovskite Solar Cell

Chen

Deng

et al. 2019

J. Phys. Chem. Lett.

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The dynamics of photogenerated carriers and mobile ions in operational cesium lead halide (CsPbI3) perovskite solar cells (PSCs) under working conditions are studied using nanoscale-resolved fluorescence lifetime imaging microscopy (FLIM). The temporally and spatially resolved photoluminescence (PL) changes in the perovskite film during and after bias light soaking are dynamically monitored. Through the analysis of the dynamic variations of PL intensity and PL lifetime of an open-circuit PSC, the impacts of light soaking are revealed by a dynamic model of photogenerated charge carrier and mobile ions. We confirmed the different behaviors between morphological domain interiors and domain boundaries during light soaking, which shed light on the engineering of the domain interiors in addition to the commonly considered domain boundary strategies. This work provides a full picture of the photogenerated process in an operational PSC and therefore guides the design and operation of perovskite-based optoelectronic devices.

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“…There is also visible variation in crystal orientation and grain sizes due to these processing heterogeneities which directly affect several optical parameters such as absorption profiles. 52 However, for accurate results in modeling polycrystalline films, it is crucial to factor in the film thickness when evaluating the absorption properties or quantum efficiencies of the device using electrical simulations, since it directly relates to the complex refractive index, N, where N = n ± ik, with n and k being the index of refraction and extinction coefficient, respectively. For instance, 300−500 μm of MAPbI 3 film has been found to be optimum as the absorber layer in accordance with typical diffusion lengths and penetration depths.…”

Section: Device Simulationsmentioning

confidence: 99%

Optical Simulations in Perovskite Devices: A Critical Analysis

et al. 2022

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With halide perovskite gaining popularity for optoelectronics application, it is imperative to push for device stacks with minimum optical losses and maximum efficiency. However, the vast plethora of material systems and device architectures available through computerized combinatorial analysis made experimental trials for each proposed possibility impractical. Thus, high-throughput optical simulations in conjunction to comprehensive electronic modeling are necessary to predict outputs and minimize experimental efforts involved. Here, we aim to critically summarize some of the most intuitive and efficient approaches to optical modeling for perovskite-based devices and work toward a consensus on the best avenues to utilize these models. First, the nuances of ellipsometry measurements for ascertaining accurate optical constants of perovskite are discussed. Modeling techniques (such as ray tracing, transfer matrices, finite difference time domain, and finite element methods) to simulate the optical interaction within the device are then elaborated focusing on their advantages and limitations. Next, the primary challenges to attaining greater accuracy of optical constant data as well as insights on the future trends are identified. Finally, an interactive flowchart-based decision tree to ascertain the best simulation technique for a given optoelectronic device architecture is built, which will greatly help experimental scientists and beginners in optical modeling.

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Crystal Orientation and Grain Size: Do They Matter for Optoelectronic Properties of MAPbI3 Perovskite?

Cited by 5 publications

References 0 publications

Spatial Distribution of Solar Cell Parameters in Multigrain Halide-Perovskite Films: A Device Model Perspective

Spatial Distribution of Solar Cell Parameters in Multigrain Halide-Perovskite Films: A Device Model Perspective

Visualizing the Impact of Light Soaking on Morphological Domains in an Operational Cesium Lead Halide Perovskite Solar Cell

Optical Simulations in Perovskite Devices: A Critical Analysis

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