Bandgap bowing in a zero-dimensional hybrid halide perovskite derivative: spin–orbit coupling <i>versus</i> lattice strain

Chatterjee, Sandipan; Payne, Julia L.; Irvine, John T. S.; Pal, Amlan J.

doi:10.1039/c9ta12263j

Cited by 24 publications

(27 citation statements)

References 42 publications

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“…From Tauc plots, we extracted an indirect optical band gap of 2.1 eV and a direct bandgap of 2.6 eV, which is lower than for the pristine MA 3 Bi 2 I 9 (Figure S11). The bandgap narrowing is widely known for Pb-Sn compositions [43] and has been recently observed in low-dimensional perovskites with dual metals (Bi and Sb) [44]. However, it is very interesting to observe the bandgap reduction, as observed in the present study, with the mixture of A-site cations in the bismuth-based lowdimensional perovskite.…”

Section: Double-cation Based Bismuth Iodide Perovskitesupporting

confidence: 53%

Single- or double A-site cations in A3Bi2I9 bismuth perovskites: What is the suitable choice?

Ünlü

Kulkarni

Lê

et al. 2021

Journal of Materials Research

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Investigations on the effect of single or double A-site cation engineering on the photovoltaic performance of bismuth perovskite-inspired materials (A3Bi2I9) are rare. Herein, we report novel single- and double-cation based bismuth perovskite-inspired materials developed by (1) completely replacing CH3NH3+ (methylammonium, MA+) in MA3Bi2I9 with various organic cations such as CH(NH2)2+ (formamidinium, FA+), (CH3)2NH2+ (dimethylammonium, DMA+), C(NH2)3+ (guanidinium, GA+) and inorganic cations such as cesium (Cs+), rubidium (Rb+), potassium (K+), sodium (Na+) and lithium (Li+) and (2) partially replacing MA+ with Cs+ in different stoichiometric ratios. Compared to single-cation based bismuth perovskite devices, the double-cation bismuth perovskite device showed an increment in the device power conversion efficiency (PCE) up to 1.5% crediting to the reduction in the bandgap. This is the first study demonstrating double-cation based bismuth perovskite showing bandgap reduction and increment in device efficiency and opens up the possibilities towards compositional engineering for improved device performance. Graphic Abstract

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Section: Double-cation Based Bismuth Iodide Perovskitesupporting

confidence: 53%

Single- or double A-site cations in A3Bi2I9 bismuth perovskites: What is the suitable choice?

Ünlü

Kulkarni

Lê

et al. 2021

Journal of Materials Research

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“…The bowing parameters of MAPbBr3-xXx (X = Cl or I) are relatively small (7 ´ 10 -4 to 0.33) 19,30 compared to the bowing parameters (0.5 to 1.33) found for other mixed metal perovskite systems. [40][41][42][43] Our study illustrates a good example of a linear variation between bandgap and halide composition, and it is as of yet unclear why both linear and non-linear relationship were reported for other mixed halide perovskites with same organic cation and metal. However, this may related to anion segregation when prepared using kinetically-controlled precipitation routes.…”

Section: Resultsmentioning

confidence: 76%

Progressive Polytypism and Bandgap Tuning in Azetidinium Lead Halide Perovskites

et al. 2021

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Mixed halide azetidinium lead perovskites AzPbBr 3-x X x (X = Cl or I) were obtained by mechanosynthesis.With varying halide composition from Cl-to Br-to I-; the chloride and bromide analogs both form in the hexagonal 6H polytype while the iodide adopts the 9R polytype. An intermediate 4H polytype is observed for mixed Br/I compositions. Overall the structure progresses from 6H to 4H to 9R perovskite polytype with varying halide composition. Rietveld refinement of the powder X-ray diffraction patterns revealed a linear variation in unit cell volume as a function of the average radius of the anion, which is not only observed within the solid solution of each polytype (according to Vegard's law) but extends uniformly across all three polytypes. This is correlated with a progressive (linear) tuning of the bandgap from 3.41 to 2.00 eV.Regardless of halide, the family of azetidinium halide perovskite polytypes are highly stable, with no discernible change in properties over more than 6 months under ambient conditions File list (2) download file view on ChemRxiv Tian_Az_mixedhalide_manuscript.pdf (1.76 MiB) download file view on ChemRxiv Tian_Supp_info.pdf (2.32 MiB)

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Section: Resultsmentioning

confidence: 76%

Progressive Polytypism and Bandgap Tuning in Azetidinium Lead Halide Perovskites

Tian¹,

Cordes²,

Slawin³

et al. 2021

Preprint

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<div><div><div><p>Mixed halide azetidinium lead perovskites AzPbBr<sub>3-<i>x</i></sub>X<i><sub>x</sub></i> (X = Cl or I) were obtained by mechanosynthesis. With varying halide composition from Cl- to Br- to I-; the chloride and bromide analogs both form in the hexagonal 6H polytype while the iodide adopts the 9R polytype. An intermediate 4H polytype is observed for mixed Br/I compositions. Overall the structure progresses from 6H to 4H to 9R perovskite polytype with varying halide composition. Rietveld refinement of the powder X-ray diffraction patterns revealed a linear variation in unit cell volume as a function of the average radius of the anion, which is not only observed within the solid solution of each polytype (according to Vegard’s law) but extends uniformly across all three polytypes. This is correlated with a progressive (linear) tuning of the bandgap from 3.41 to 2.00 eV. Regardless of halide, the family of azetidinium halide perovskite polytypes are highly stable, with no discernible change in properties over more than 6 months under ambient conditions</p></div></div></div>

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Bandgap bowing in a zero-dimensional hybrid halide perovskite derivative: spin–orbit coupling versus lattice strain

Abstract: The bandgap bowing phenomenon has been observed in lead-free MA3Sb2I9 perovskite upon isovalent substitution by bismuth (Bi3+).

Cited by 24 publications

References 42 publications

Single- or double A-site cations in A3Bi2I9 bismuth perovskites: What is the suitable choice?

Single- or double A-site cations in A3Bi2I9 bismuth perovskites: What is the suitable choice?

Progressive Polytypism and Bandgap Tuning in Azetidinium Lead Halide Perovskites

Progressive Polytypism and Bandgap Tuning in Azetidinium Lead Halide Perovskites

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