Structural, electronic and optical properties of CsPbX3 (X=Cl, Br, I) for energy storage and hybrid solar cell applications

Ahmad, Murad; Rehman, Gul; Ali, Liaqat; Shafiq, M.; Iqbal, Rashid; Ahmad, Rashid; Khan, Tahir; Jalali-Asadabadi, S.; Maqbool, Muhammad; Ahmad, Iftikhar

doi:10.1016/j.jallcom.2017.02.147

Cited by 216 publications

(115 citation statements)

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“…Regarding the differences in bandgap for different perovskite structures, we collected and analyzed DFT calculated and experimental bandgaps from 41 different studies, spanning numerous materials and DFT calculation methods, and conducted tests on KMnI 3 , RbMnI 3 , CsFeI 3 , and KFeI 3 . While this collection of 41 different studies is not an exhaustive search of the available literature of bandgaps of halide perovskites, we found this number of studies proved sufficient for us to estimate qualitative bandgap shifts between structural symmetries.…”

Section: Methodsmentioning

confidence: 99%

Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High‐Efficiency Solar Cells

Jacobs

Luo

Morgan

2019

Adv Funct Materials

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Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this study, high-throughput density functional theory (DFT) methods are used to computationally model and screen 1845 halide perovskites in search of new materials without these limitations that are promising for solar cell applications. This study focuses on finding materials that are comprised of nontoxic elements, stable in a humid operating environment, and have an optimal bandgap for one of single junction, tandem Si-perovskite, or quantum dot-based solar cells. Single junction materials are also screened on predicted single junction photovoltaic (PV) efficiencies exceeding 22.7%, which is the current highest reported PV efficiency for halide perovskites. Generally, these methods qualitatively reproduce the properties of known promising nontoxic halide perovskites that are either experimentally evaluated or predicted from theory. From a set of 1845 materials, 15 materials pass all screening criteria for single junction cell applications, 13 of which are not previously investigated, such as (CH 3 NH 3 ) 0.75 Cs 0.25 SnI 3 , ((NH 2 ) 2 CH) Ag 0.5 Sb 0.5 Br 3 , CsMn 0.875 Fe 0.125 I 3 , ((CH 3 ) 2 NH 2 )Ag 0.5 Bi 0.5 I 3 , and ((NH 2 ) 2 CH) 0.5 Rb 0.5 SnI 3 . These materials, together with others predicted in this study, may be promising candidate materials for stable, highly efficient, and nontoxic perovskite-based solar cells.

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Section: Methodsmentioning

confidence: 99%

Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High‐Efficiency Solar Cells

Jacobs

Luo

Morgan

2019

Adv Funct Materials

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“…The element substitution at the A site or B site could significantly alter the photoelectric properties of perovskite materials such as light absorption coefficient, energy bandgap, and carrier transport properties . Some studies showed that the incorporation of monovalent cations, such as Cs + ,, K + ,, Na + , and Rb + ,, could partly occupy the A site or interstitial sites to meliorate the crystallization process, passivate the defects in materials, eliminate the hysteresis in I−V curve, and even improve the stability of devices. Meanwhile, Pb 2+ ions on the B site could also be substituted by isovalent or anisovalent cations.…”

Section: Introductionmentioning

confidence: 99%

Copper Incorporation in Organic‐Inorganic Hybrid Halide Perovskite Solar Cells

Song

Jiang

Liu³

et al. 2018

ChemistrySelect

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The organic‐inorganic hybrid halide perovskite solar cell with excellent photovoltaic performance has been considered a promising device in photovoltaic field. By element substitution in perovskites, the crystal structure and properties of materials can be altered. Herein, two copper‐based compounds are used as additives in perovskites, which affect the crystallization process of perovskite films, and modify the photoelectric properties of perovskite materials. It is found that an appropriate addition of copper (Cu) ions could not only reduce the perovskite phase transition temperature, promote the formation of black perovskite phase, but also improve the crystallization and absorbance of perovskites. Excessive Cu incorporation leads to significant loss of device performance. The appropriate concentration of Cu ions in perovskite absorber for high efficiency solar cell is considered to be ∼0.1 mol% from a number of experimental results, which contributes to a remarkable stability of the device with only 2% power conversion efficiency loss after 170 h. This study is conducive to the comprehensive understanding of the effect of ions doping in perovskite materials.

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“…The most widely used inorganic cation in ABX 3 structures is Cs. [ 97–101 ] A yellow CsPbI 3 crystals is in an orthorhombic phase when formed at room temperature and it will be in cubic phase structure after the temperature increased to 608 K. [ 100,102 ] Although cubic phase CsPbI 3 has shown better thermal stability than MAPbI 3 , its structure is less stable than that of its methylammonium counterpart because its cubic phase can be reversed to orthorhombic phase. Cubic phase CsPbBr 3 (CsPbCl 3 ) materials can be synthesized at a temperature down to 400 K (320 K) and their structures are more stable than their iodide counterpart.…”

Section: Stability Of Perovskite Materialsmentioning

confidence: 99%

Stability of Perovskite Light Sources: Status and Challenges

Chen

Cui

et al. 2020

Advanced Optical Materials

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Stable perovskites light sources with long‐term stability are of great significance for future commercial applications. In this review, recent advances of the degradation models for perovskites and strategies for enhancing the stability of the corresponding light sources are summarized. Improving the stability and quality of perovskite materials is a common way for developing stable perovskite light sources. For strengthening the stability of perovskite light‐emitting diodes, approaches such as surface and interface engineering and employing more stable hole injection layers are effective. To enhance the stability of perovskite amplified spontaneous emission and lasers, methods such as protecting perovskites by materials with high intrinsic thermal conductivity and high stability, better thermal managements, and reducing the threshold carrier densities are useful. This work will be helpful for further prompting the performances, especially the stability of perovskite light sources in this fantastic field.

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Structural, electronic and optical properties of CsPbX3 (X=Cl, Br, I) for energy storage and hybrid solar cell applications

Cited by 216 publications

References 50 publications

Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High‐Efficiency Solar Cells

Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High‐Efficiency Solar Cells

Copper Incorporation in Organic‐Inorganic Hybrid Halide Perovskite Solar Cells

Stability of Perovskite Light Sources: Status and Challenges

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