Synthesis of Cs2AgSbCl6 and improved optoelectronic properties of Cs2AgSbCl6/TiO2 heterostructure driven by the interface effect for lead-free double perovskites solar cells

Deng, Wan; Deng, Zun-Yi; He, Jia; Wang, Mingzi; Chen, Zixuan; Wei, Su‐Huai; Feng, Hao

doi:10.1063/1.4999192

Cited by 70 publications

(52 citation statements)

References 39 publications

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“…Cs 2 AgSbCl 6 has a cubic structure with Fm‐3m space group symmetry and investigational unit‐cell axis parameters a = b = c =10.699 Å, and its optical bandgap is around 2.60 eV . The interplanar spacing values between (200) and (220) planes of Cs 2 AgSbCl 6 were demonstrated to be 2.6 and 1.8 Å, respectively .…”

Section: Materials and Structuresmentioning

confidence: 98%

“…Note that the optical absorption of Cs 2 AgSbCl 6 could be tunable by means of heterostructure engineering combined with other wide‐bandgap semiconductors. For example, the Cs 2 AgSbCl 6 /TiO 2 heterostructure displays improved optical absorption ability in the visible‐light region in composition to that of the pure Cs 2 AgSbCl 6 perovskite, which is associated with the formation of the declined bandgap and the interfacial states, thereafter facilitating the photoinduced optical transition upon the visible‐light illumination …”

Section: Materials and Structuresmentioning

confidence: 99%

“…Deng et al. 's study through theory and experiments suggested that the double‐metallic lead‐free Cs 2 AgSbCl 6 perovskite would be a promising light‐absorbing candidate combining with the TiO 2 electron transport layer in the double perovskite‐based PV cells . Meanwhile, Zhao et al.…”

Section: Applicationsmentioning

confidence: 99%

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Structurally Stabilizing and Environment Friendly Triggers: Double‐Metallic Lead‐Free Perovskites

et al. 2019

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Lead halide perovskite (ABX3) has attracted considerable attention due to its applicability as absorber layers in highly efficient photovoltaic cells. With regard to the lead toxicity, double‐metallic lead‐free perovskite, A2BIBIIIX6, in which the neighboring B+ and B3+ sites in the crystal microstructure are alternately occupied by monovalent‐metal and trivalent‐metal cations, is regarded to be a promising alternative to the widely used lead‐based perovskites. This review aims to summarize the recent advances in the new class of A2BIBIIIX6 double‐metallic lead‐free perovskites. In particular, the electronic structure, synthesis, property, and their applications in devices, for example, photovoltaics, photodetectors, and light emitting diodes, is carefully classified and presented. Notably, the theoretical calculations point out that there is much room toward potential applications for this new class of perovskite materials. The present review provides a holonomic conclusion and opens new perspectives toward realizing higher performance of A2BIBIIIX6‐based devices.

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Section: Materials and Structuresmentioning

confidence: 98%

Section: Materials and Structuresmentioning

confidence: 99%

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Structurally Stabilizing and Environment Friendly Triggers: Double‐Metallic Lead‐Free Perovskites

et al. 2019

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“…First, among the 8 B(I) cations, the 5 alkali metal cations (including NH 4 + ) can be directly ruled out because they are too ionic to contribute to the band edges. [166] Since 2016, many new halide double perovskites have been synthesized, including Cs 2 AgBiX 6 (X = Br, Cl), [155][156][157] Cs 2 AgSbCl 6 , [167][168][169] Cs 2 AgInCl 6 , (MA) 2 AgBiBr 6 , [170] (MA) 2 KBiCl 6 , [161] and (MA) 2 TlBiBr 6 . [55] Second, for B(III) cations, the transition metal cations with multiple oxidation states and/or partially occupied d or f orbitals are not desirable for designing photovoltaic absorbers, because they may introduce deep defect states and too localized band edges.…”

Section: D a 2 B(i)b(ii)x 6 Halide Double Perovskitesmentioning

confidence: 99%

From Lead Halide Perovskites to Lead‐Free Metal Halide Perovskites and Perovskite Derivatives

2019

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serious challenges due to the inclusion of toxic Pb and instability against moisture, heat, and irradiation. In recent years, significant efforts have been paid to develop Pb-free halide perovskite and perovskite derivative absorber materials. However, so far, solar cells based on these materials show significantly inferior performances as compared to their Pb halide perovskite counterparts. Herein, we provide reviews on the fundamental understandings of the photovoltaic properties from Pb halide perovskites to Pb-free metal halide perovskites and perovskite derivatives as well as the experimental results reported in the literature. The results suggest that replacing Pb by nontoxic elements may degrade the superior photovoltaic properties seen in Pb halide perovskites, explaining the fact that all reported solar cells based on Pb-free perovskites or perovskite derivatives show performances significantly lower than Pb halide perovskite solar cells. Overview: Approaches and Consequences of Pb ReplacementWe first provide an overview of the approaches and consequences of Pb replacement reported in the literature, as shown in Figure 1. In general, there are two categories for Pb replacement: using either homovalent elements such as Sn and Ge or heterovalent elements such as Bi and Sb. The heterovalent replacement category can be divided into two subcategories based on the ways to maintain the charge neutrality: ion-splitting and ordered vacancy. The ion-splitting subcategory can be further divided into mixed anion compounds with the formula of AB(Ch,X) 3 , where Ch represents a chalcogen element, and X represents a halogen element, and mixed cation compounds with a formula of A 2 B(I)B(III)X 6 , which are commonly called double perovskites. The ordered vacancy subcategory can also be divided into the B(III) compounds with a formula of A 3 ◻B(III)X 9 and the B(IV) compounds with a formula of A 2 ◻ B(IV)X 6 (the sign of ◻ indicates vacancy). Figure 1 also summarizes the photovoltaic properties and the stabilities of each group of materials, which provides a clear overview of the consequences of Pb replacement. While the homovalent replacement by Sn or Ge leads to instability, the heterovalent Pb replacement leads to degraded electronic properties mainly due to the reduction on electronic dimensionality. As a result, all the reported Pb-free perovskite and perovskite derivative solar Despite the exciting progress on power conversion efficiencies, the commercialization of the emerging lead (Pb) halide perovskite solar cell technology still faces significant challenges, one of which is the inclusion of toxic Pb. Searching for Pb-free perovskite solar cell absorbers is currently an attractive research direction. The approaches used for and the consequences of Pb replacement are reviewed herein. Reviews on the theoretical understanding of the electronic, optical, and defect properties of Pb and Pb-free halide perovskites and perovskite derivatives are provided, as well as the experimental results available in the literature....

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“…According to the results, we concluded that double perovskites could been synthesized when ∆H d is greater than 0 meV per atom, [32,37,40,[52][53][54][55][56][57][58][59] and there is no synthesis in the experiment when ∆H d is lower than −29 meV per atom. It is worth noting that ∆H d is between −29-0 meV per atom, that is, Cs 2 AgSbCl 6 [44,60], Rb 2 NaInCl 6 [53], Cs 2 AgSbBr 6 [44], Cs 2 NaInBr 6 [53], Cs 2 KBiCl 6 [61], Cs 2 NaSbBr 6 [54], Cs 2 NaBiI 6 [43] and Cs 2 AgBiI 6 [62] are experimentally synthesized by synthesizing nanocrystals or controlling the experimental temperature. We listed the bandgap, decomposition energies and optimal decomposition pathways in Table S3.…”

Section: Linear Programming (Lp) For Thermodynamic Stabilitymentioning

confidence: 99%

Bayesian optimization based on a unified figure of merit for accelerated materials screening: A case study of halide perovskites

Chen

Wang

et al. 2020

Sci. China Mater.

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The figure of merit is of crucial importance in materials design to search for candidates with optimal functionality. In the field of photovoltaics, the bandgap (E g ) is a well-recognized figure of merit for screening solar cell absorbers subject to the Shockley-Queisser limit. In this paper, the bandgap as the figure of merit is challenged since an ideal solar cell absorber requires multiple criteria such as stability, optical absorption, and carrier lifetime. Multiple criteria make the quantitative description of material candidates difficult and computationally time-consuming. Taking halide perovskites as an example, we combine thermodynamic stability (ΔH d ) and E g into a unified figure of merit and use Bayesian optimization (BO) to accelerate materials screening. We have found that, in comparison to an exhaustive search via multiple parameters, BO based on the unified figure of merit can screen optimal candidates (E g,PBE between 0.6-1.2 eV, ΔH d >−29 meV per atom) more efficiently. Therefore, the proposed method opens a viable route for the search of optimal solar cell absorbers from a large amount of material candidates with less computational cost.

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Synthesis of Cs2AgSbCl6 and improved optoelectronic properties of Cs2AgSbCl6/TiO2 heterostructure driven by the interface effect for lead-free double perovskites solar cells

Cited by 70 publications

References 39 publications

Structurally Stabilizing and Environment Friendly Triggers: Double‐Metallic Lead‐Free Perovskites

Structurally Stabilizing and Environment Friendly Triggers: Double‐Metallic Lead‐Free Perovskites

From Lead Halide Perovskites to Lead‐Free Metal Halide Perovskites and Perovskite Derivatives

Bayesian optimization based on a unified figure of merit for accelerated materials screening: A case study of halide perovskites

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