Decisive Structural and Functional Characterization of Halide Perovskites with Synchrotron

Zhou, Yuanyuan; Zhou, Hua; Deng, Junjing; Cha, Wonsuk; Cai, Zhonghou

doi:10.1016/j.matt.2019.12.027

Cited by 39 publications

(26 citation statements)

References 63 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Although the high spatiotemporal resolution characterization at synchrotron sources allows for real‐time insights over multiple time and length scales it is enabled by high X‐ray fluxes (number of photons per second per unit area) which can damage the structure under study and thus, need to be considered in the experimental design steps. Clearly, there are unique advantages of synchrotron‐based characterization [ 10,48 ] but such large‐scale facilities are not readily available on a day‐to‐day basis for most researchers. In the context of this Essay with emphasis on multimodal characterization of synthesis and device behavior, one strategy can be for example the correlation of synchrotron‐based diffraction with optical measurements, such as PL or UV–vis.…”

Section: Perspective and Outlookmentioning

confidence: 99%

The Value of Watching How Materials Grow: A Multimodal Case Study on Halide Perovskites

Sutter‐Fella

2021

Advanced Energy Materials

View full text Add to dashboard Cite

natorial parameter spaces and real time control can change the way we are used to do material synthesis. Realizing this paradigm would not only speed up new materials discovery, shorten the development and optimization time of deploying new materials in commercial products by 10 times, [5] but also make better use of research resources. Toward this goal, further developments spanning new computational tools, materials databases, and synthesis and characterization techniques, need to converge. One approach to rationally synthesize materials, is to leverage in depth understanding of how complex materials assemble, how their properties evolve over time, and how this affects the overall physiochemical macroscopic properties. In fact, the mission innovation report recently identified the lack of structure-property relationships as one significant gap toward accelerated materials discovery using data-driven approaches. [6] Much of today's experiments are conducted by measuring single properties one by one ex situ, mostly near equilibrium. Ex situ measurements (referred to as "black box" synthesis) describe materials or device characterization post fabrication and do for example not allow for insights into crystallization pathways, chemical transformations, as well as the evolution or reciprocal correlation of functional properties that are happening dynamically over time during synthesis and device operation (Figure 1). Some experiments are conducted as break-off experiments where the synthesis is interrupted at different points during the reaction to conduct ex situ measurements and to capture snapshots of the reaction. More recently, in situ measurements are performed in real time as the material is synthesized, i.e., measurements are conducted during synthesis and one can monitor the possibly intricate interplay between thermodynamic and kinetically driven formation pathways. As an example, in situ diffraction measurements during synthesis that span several processing steps can reveal metastable crystalline phases that form as intermediates and then disappear at the end of the reaction. [7][8][9] With the beginning of modern science there has been a relationship between scientific discovery and innovative tools. Fast data collection was enabled by detector developments with integration times on the order of ≈ms and increasing X-ray fluxes available at synchrotron facilities. [10] These developments allow now to follow growth kinetics, structural transformations, and Material synthesis is one of the most important aspects in humankinds' endeavor to discover and create new materials for energy applications. One strategy to tailor materials with desired functions in a rational way is by knowing how functions relate to structure, synthetic variables, arrangement of atoms and molecules, and how functions evolve during synthesis. In order to accelerate materials synthesis, discovery, and optimization by 10 times it is the right time now to integrate computational tools, synthesis, and characterization. One particular barr...

show abstract

Section: Perspective and Outlookmentioning

confidence: 99%

The Value of Watching How Materials Grow: A Multimodal Case Study on Halide Perovskites

Sutter‐Fella

2021

Advanced Energy Materials

View full text Add to dashboard Cite

show abstract

“…As a solar cell absorber, excellent optoelectronic properties were extensively researched and reported in the literature ( Shi et al., 2015 ; Stranks et al., 2013 ; Xing et al., 2013 ; Yin et al., 2014 ). Traditionally, studies on the structure–property relationship in functional materials are often truly essential ( Stoumpos and Kanatzidis, 2015 ; Zhou et al., 2020 ). Thus, it is important to understand the crystal structure of organic-inorganic hybrid perovskites, characterized by temperature-dependent crystal formation as well as phase transitions, considerable dynamic local disorder, various defects like lead cations, halogen anions and/or organic cations' vacancies or interstitials, to understand the underlying physics behind its high power conversion efficiencies (PCEs).…”

Section: Introductionmentioning

confidence: 99%

Dynamic structural property of organic-inorganic metal halide perovskite

et al. 2021

View full text Add to dashboard Cite

Unique organic-inorganic hybrid semiconducting materials have made a remarkable breakthrough in new class of photovoltaics (PVs). Organic-inorganic metal (Pb and/or Sn) halides (-I, -Br, and -Cl) are the semiconducting absorber with the crystal structure of the famous ''Perovskite''. It is widely called ''perovskite solar cells (PSCs)'' in PV society. Now, the power conversion efficiency (PCE) of PSCs is recorded in 25.5%. Prototypical composition of the absorbers is (A = methylammonium [MA], formamidinium [FA], and Cs), (M = Pb and/or Sn), and (X = I, Br, and Cl) in the form of perovskite AMX 3 . Since the report on the stable all solid-state PSCs in 2012, the average annual growth rate of PCE is well over $10%. Such an outstanding PV performance attracts huge number of scientists in our research society. Their chemical as well as physical properties are dramatically different from monocrystalline Si, GaAs, other III-IV semiconductors, and many oxides with the crystal structure of perovskite. In this review, different fundamental aspects, in particular, the dynamic properties of A site cationic molecules and PbI 6 octahedrons linked with their corners, from other semiconducting and dielectric materials are reviewed and summarized. Upon discussing unique properties, perspectives on the promising PV applications based on the comprehension in dynamic nature of the orientation in A site molecule and PbI 6 octahedron tilting will be given.

show abstract

“…To investigate the nature of the double [hh0]/[00l] texture, synchrotron Full‐Field Diffraction X‐ray Microscopy (FFDXM) was used. Synchrotron‐based experiments previously proved to be highly beneficial and informative tools to study the properties of halide perovskites, [ 46 ] and FFDXM is a powerful technique allowing direct mapping of crystalline domains. Details about the unique FFDXM experimental setup on the ID01 beamline at the European Synchrotron Radiation Facility (ESRF) are found in the experimental section.…”

Section: Texture In Mapbi3 Thin Layersmentioning

confidence: 99%

Microstructure of Methylammonium Lead iodide Perovskite Thin Films: A Comprehensive Study of the Strain and Texture

Medjahed

Zhou

Quiceno

et al. 2022

Advanced Energy Materials

View full text Add to dashboard Cite

Controlling the microstructure of hybrid halide perovskite thin films is essential for optimizing their performance in optoelectronic devices. It is well established that the strain state of the perovskite layer affects its stability. Likewise, the orientation of the perovskite lattice is a determining parameter as these materials have shown pronounced anisotropies in their physical and mechanical properties. In this work, the authors focus on the understanding of the mechanisms that govern the strain and texture observed in MAPbI3 thin films deposited on various oxide substrates. A thorough study of the evolution of the strain of the perovskite layer upon cooling down to room temperature from the crystallization temperature (100 °C) shows an essentially relaxed behavior of the perovskite layers. This result contradicts the commonly accepted hypothesis according to which MAPbI3 layers synthesized above ambient temperature are strained due to the large mismatch in the thermal expansion coefficients of the perovskite and its substrate. The texture in MAPbI3 layers is investigated by means of synchrotron full‐field diffraction X‐ray microscopy. This technique allows the direct observation of the [hh0] and [00l]‐oriented domains at the origin of the observed textures, demonstrating both their twin and ferroelastic nature. The stability of the different domain orientations is investigated by DFT calculations, illustrating the determining role of the chemical environment at the film‐substrate interface. PbI2‐ terminated surfaces are found to favor the [hh0] orientations while for MAI‐terminated ones, both [hh0] and [00l] domains are equally stabilized. The different results constitute an important step of clarification and understanding from the perspective of controlling the microstructure of perovskite layers.

show abstract

Decisive Structural and Functional Characterization of Halide Perovskites with Synchrotron

Cited by 39 publications

References 63 publications

The Value of Watching How Materials Grow: A Multimodal Case Study on Halide Perovskites

The Value of Watching How Materials Grow: A Multimodal Case Study on Halide Perovskites

Dynamic structural property of organic-inorganic metal halide perovskite

Microstructure of Methylammonium Lead iodide Perovskite Thin Films: A Comprehensive Study of the Strain and Texture

Contact Info

Product

Resources

About