Perovskite Solar Cells: Mixed Valence Perovskite Cs2Au2I6: A Potential Material for Thin‐Film Pb‐Free Photovoltaic Cells with Ultrahigh Efficiency (Adv. Mater. 12/2018)

Debbichi, Lamjed; Lee, Songju; Cho, Hyunyoung; Rappe, Andrew M.; Hong, Ki‐Ha; Jang, Min Seok

doi:10.1002/adma.201870080

Cited by 4 publications

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“…The effect of Bi in these structures has been reported as producing intermediate bands, causing some reduction in band gaps to optimal ones. 21 Figure 5 displays the band gap of some of these halide PDs with their TDOS. The band structure data for the remaining halide DPs are provided in Figure S2 for the SOC case.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…For a simple cubic ( Pm 3̅ m ) structure, MAPbI 3 needs high temperature . The DP materials become important as their RT cubic structure (ideal perovskite phase) and single counterparts contain octahedra at the corner, forming 3D structures that give the material an optimal band gap and an isotropic charge carrier transport feature, making them suitable for solar cell application …”

Section: Resultsmentioning

confidence: 99%

“…Out of 27 DPs, only 17 systems showed a band gap, and 6 of them possess a band gap in the 1.1–1.5 eV range, suitable for PV application. The effect of Bi in these structures has been reported as producing intermediate bands, causing some reduction in band gaps to optimal ones Figure displays the band gap of some of these halide PDs with their TDOS.…”

Section: Resultsmentioning

confidence: 99%

“…Moreover, from the application perspective, DPs can also be utilized by alloying, band engineering, and doping. In another strategy, researchers have used the same B and B′ cations to form a mixed-valence compound (Cs 2 Au 2 I 6 , E g = 1.21 eV), and when employed into solar cell device simulation, it resulted in over 20% efficiency . In a similar line, some of these DPs may be utilized for solar cell application by charge disproportionation of the cation and forming A 2 B 2 X 6 ternary materials as these ternary compounds offer an optimum band gap.…”

Section: Resultsmentioning

confidence: 99%

“…20 The DP materials become important as their RT cubic structure (ideal perovskite phase) and single counterparts contain octahedra at the corner, forming 3D structures that give the material an optimal band gap and an isotropic charge carrier transport feature, making them suitable for solar cell application. 21 Before computing optoelectronic properties, it is necessary to ensure the optimized structural parameters for a reliable density functional theory (DFT) study. Therefore, the initial cell volume is modulated over a particular range, and the corresponding energies are computed.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Lead-Free Cs₂BB′X₆ (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications

Kale

Chaurasiya

Dixit

2022

ACS Appl. Energy Mater.

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A mere decade-long research focused on perovskites for photovoltaics (PVs) has unearthed their exciting promise. However, as an alternative to the inaugural class of single perovskites, which suffer from instability and toxicity, an interesting class of halide double perovskites (DPs) have recently been in the hot list of photovolatic (PV) researchers. This article presents 27 Cs2BB′X6 halide DPs using different exchange–correlation approximations and reports investigations based on factors such as the Goldschmidt tolerance factor (t) and modified tolerance factor (t ′) and thermodynamical investigations considering mixed decomposition pathways for assessing their stability. The spin–orbit coupling (SOC) is explored to understand the role of the heavy element as an alternative to Pb. A wide range of band gaps (0.2 eV to 2.35 eV) are noticed for the 27 DPs. As a single exception, a halide DP with a trivalent thallium cation exhibits metallic characteristics. Further, an insight into the mechanism behind band gap variation is correlated with different B/B′/X combinations and understood from molecular orbital alignment analysis. Such a broad band gap spectrum has the potential to provide the possibility of integrating them in single- or multiple-junction solar cells or thermoelectric applications. This article, on the whole, hopefully provides insights into the potential of DPs for various applications befitting their particular material properties.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

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Lead-Free Cs₂BB′X₆ (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications

Kale

Chaurasiya

Dixit

2022

ACS Appl. Energy Mater.

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Thermal analysis in 3-D simulation of thin-film ZnO/MoS2/Si solar cells

Parasuraman,

Rathnakannan

2024

Multiscale and Multidiscip. Model. Exp. and Des.

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Refractory plasmonics enabling 20% efficient lead-free perovskite solar cells

Mohsen

Zahran

Habib

et al. 2020

Sci Rep

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Core-shell refractory plasmonic nanoparticles are used as excellent nanoantennas to improve the efficiency of lead-free perovskite solar cells (PSCs). SiO 2 is used as the shell coating due to its high refractive index and low extinction coefficient, enabling the control over the sunlight directivity. An optoelectronic model is developed using 3D finite element method (FEM) as implemented in COMSOL Multiphysics to calculate the optical and electrical parameters of plain and ZrN/SiO 2 -modified PSCs. For a fair comparison, ZrN-decorated PSCs are also simulated. While the decoration with ZrN nanoparticles boosts the power conversion efficiency (PCE) of the PSC from 12.9% to 17%, the use of ZrN/SiO 2 core/ shell nanoparticles shows an unprecedented enhancement in the PCE to reach 20%. The enhancement in the PCE is discussed in details.www.nature.com/scientificreports www.nature.com/scientificreports/ model. First, the largest value allowed for mesh size must not exceed λ/10 of the smallest simulated wavelength. Therefore, a tetrahedron shape was selected for meshing the solar cell active layers, where the smaller the mesh size, the more accurate the computational data compared to the practical counterpart. However, this comes on the expense of the computational time. Second, in order to decrease the computational time, a mapped meshing with normal or coarse meshing was applied to the PMLs surrounding the solar cell in order to allow the use of smaller mesh size for the solar cell and the active material. Third, the G opt was integrated to the full simulated bandwidth and used as an input data profile to construct the electrical model. In the electrical model, any enhancements in light absorption was assumed to be directly proportional to the enhancements in the photocurrent as shown by Eq. 9. The electrical parameters of TiO 2 , MASnI 3 , and Spiro-OMeTAD were extracted from literature 49,50 . Scientific RepoRtS |(2020) 10:6732 | https://doi.

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Perovskite Solar Cells: Mixed Valence Perovskite Cs₂Au₂I₆: A Potential Material for Thin‐Film Pb‐Free Photovoltaic Cells with Ultrahigh Efficiency (Adv. Mater. 12/2018)

Cited by 4 publications

References 0 publications

Lead-Free Cs₂BB′X₆ (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications

Lead-Free Cs₂BB′X₆ (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications

Thermal analysis in 3-D simulation of thin-film ZnO/MoS2/Si solar cells

Refractory plasmonics enabling 20% efficient lead-free perovskite solar cells

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Perovskite Solar Cells: Mixed Valence Perovskite Cs2Au2I6: A Potential Material for Thin‐Film Pb‐Free Photovoltaic Cells with Ultrahigh Efficiency (Adv. Mater. 12/2018)

Cited by 4 publications

References 0 publications

Lead-Free Cs2BB′X6 (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications

Lead-Free Cs2BB′X6 (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications

Thermal analysis in 3-D simulation of thin-film ZnO/MoS2/Si solar cells

Refractory plasmonics enabling 20% efficient lead-free perovskite solar cells

Contact Info

Product

Resources

About

Perovskite Solar Cells: Mixed Valence Perovskite Cs₂Au₂I₆: A Potential Material for Thin‐Film Pb‐Free Photovoltaic Cells with Ultrahigh Efficiency (Adv. Mater. 12/2018)

Lead-Free Cs₂BB′X₆ (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications

Lead-Free Cs₂BB′X₆ (B: Ag/Au/Cu, B′: Bi/Sb/Tl, and X: Br/Cl/I) Double Perovskites and Their Potential in Energy Conversion Applications