Toxicity of organometal halide perovskite solar cells

Babayigit, Aslihan; Ethirajan, Anitha; Müller, Marc; Conings, Bert

doi:10.1038/nmat4572

Cited by 1,216 publications

(1,025 citation statements)

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“…57 The RPA energies were evaluated with an energy cutoff of at least 330 eV for the wavefunctions and 220 eV for the response functions. The k-point density was 2000 k-points per reciprocal atom for SnO and SnS, and 1000 for BiI 3 . It should be noted that the absolute convergence of the RPA energy is difficult to achieve, and special attention needs to be given to the number of bands included for calculating the dielectric response.…”

Section: Methodsmentioning

confidence: 99%

“…Among many others, the most common difficulties are: 1) crystals are often twinned, leading to the projection of two or more diffraction domains onto one data set. This is especially difficult for MAPbI 3 and similar perovskite materials due to their relatively fast solution-phase crystallization as well as their nearly-cubic phase, which obfuscates the three crystallographic directions to facilitate twin boundary formation in "single" crystals; 2) the combination of both very heavy and very light elements in a single structure. X-ray diffraction intensity increases with the atomic number, which makes determining the positions of heavier elements (e.g., I and Pb) significantly easier than light elements (e.g., C and N).…”

Section: Analysis Of Single Crystalsmentioning

confidence: 99%

“…A prominent example of beam damage is RBS measurements of methylammonium bismuth iodide (MBI) and MAPbI 3 . In both cases, it was found that exposure to a high-energy ion beam resulted in a reduction in the nitrogen and iodine content, likely due to the removal of the volatile methylammonium iodide component.…”

Section: Page 10 Of 39 Acs Paragon Plus Environment Chemistry Of Matementioning

confidence: 99%

“…2 The primary challenges with this material are concerns over the toxicity of lead, 3 and the limited photo-, thermo-and chemical stability in the presence of moist air. 4,5 As a result, many researchers are interested in finding lead-free alternatives.…”

Section: Introductionmentioning

confidence: 99%

“…17 Many of these PIMs have recently been explored for photovoltaic applications. These include BiI 3 , 19,20 (CH 3 NH 3 ) 3 Bi 2 I 9 , [21][22][23][24] BiSI, 25,26 BiSeI, 25,26 K 3 Bi 2 I 9 , 27 Rb 3 Bi 2 I 9 , 27 Cs 3 Bi 2 I 9 , 27 BiOI, 28,29 Cs 3 Sb 2 I 9 , 30 SbSI, 31 SbSeI, 31 Sb 2 Se 3 , 32 CuSbSe 2 , 33,34 (CH 3 NH 3 ) 2 KBiCl 6 , 35 and SnS. 36 Many other recent works have been written on understanding the properties of hybrid lead-halide perovskites that make them excellent solar absorbers, e.g., energetic carrier screening via polarons, which may lead to new design rules.…”

Section: Introductionmentioning

confidence: 99%

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Perovskite-Inspired Photovoltaic Materials: Toward Best Practices in Materials Characterization and Calculations

et al. 2017

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ABSTRACT:Recently, there has been an explosive growth in research based on hybrid lead-halide perovskites for photovoltaics owing to rapid improvements in efficiency. The advent of these materials for solar applications has led to widespread interest in understanding the key enabling properties of these materials. This has resulted in renewed interest in related compounds and a search for materials that may replicate the defect-tolerant properties and long lifetimes of the hybrid lead-halide perovskites. Given the rapid pace of development of the field, the rises in efficiencies of these systems have outpaced the more basic understanding of these materials. Measuring or calculating the basic properties, such as crystal/electronic structure and composition, can be challenging because some of these materials have anisotropic structures, and/or are composed of both heavy metal cations and volatile, mobile, light elements. Some consequences are beam damage during characterization, composition change under vacuum, or compound effects, such as the alteration of the electronic structure through the influence of the substrate. These effects make it challenging to understand the basic properties integral to optoelectronic operation. Compounding these difficulties is the rapid pace with which the field progresses. This has created an ongoing need to continually evaluate best practices with respect to characterization and calculations, as well as to identify inconsistencies in reported values to determine if those inconsistencies are rooted in characterization methodology or materials synthesis. This article describes the difficulties in characterizing hybrid lead-halide perovskites and new materials, and how these challenges may be overcome. 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 2 challenges discussed. The focus in this article is on crystallography, composition measurements, photoemission spectroscopy and calculations on perovskites and new, related absorbers. We suggest how some of the important artifacts could be avoided and how the reporting for each technique could be streamlined between groups to ensure reproducibility as the field progresses.

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Section: Methodsmentioning

confidence: 99%

Section: Analysis Of Single Crystalsmentioning

confidence: 99%

Section: Page 10 Of 39 Acs Paragon Plus Environment Chemistry Of Matementioning

confidence: 99%