Viability of Lead-Free Perovskites with Mixed Chalcogen and Halogen Anions for Photovoltaic Applications

Hong, Fung‐E; Saparov, Bayrammurad; Meng, Weiwei; Xiao, Zewen; Mitzi, David B.; Yan, Yanfa

doi:10.1021/acs.jpcc.6b00920

Cited by 79 publications

(76 citation statements)

References 43 publications

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“…In a later study, Hong et al [152] systematically assessed the viability of the proposed 3D AB(Ch,X) 3 perovskites for photovoltaic applications through a combination of DFT calculations and solid-state reactions. The calculations show that all the proposed AB(Ch,X) 3 perovskites are thermodynamically unstable; they are apt to decompose into ternary and/or binary secondary phases or form nonperovskite phases.…”

Section: D Ab(chx) 3 Mixed-anion 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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Section: D Ab(chx) 3 Mixed-anion Perovskitesmentioning

confidence: 99%

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

2019

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“…Due to the more covalent bonding character of metal–chalcogenide bonds compared to metal halide bonds, mixed chalcogenide-halide compounds are proposed to exhibit an enhanced stability under ambient atmosphere [198]. …”

Section: Mixed Metal Halide-chalcogenide and Metal Chalcogenide Perovmentioning

confidence: 99%

“…According to DFT calculations, the examined perovskite materials were found to be thermodynamically unstable and to decompose into secondary phases [198]. This instability was supported in solid-state synthesis experiments by the formation of distinct halide and chalcogenide phases or mixed-anion phases with non-perovskite structures [198].…”

Section: Mixed Metal Halide-chalcogenide and Metal Chalcogenide Perovmentioning

confidence: 99%

Progress on lead-free metal halide perovskites for photovoltaic applications: a review

2017

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Metal halide perovskites have revolutionized the field of solution-processable photovoltaics. Within just a few years, the power conversion efficiencies of perovskite-based solar cells have been improved significantly to over 20%, which makes them now already comparably efficient to silicon-based photovoltaics. This breakthrough in solution-based photovoltaics, however, has the drawback that these high efficiencies can only be obtained with lead-based perovskites and this will arguably be a substantial hurdle for various applications of perovskite-based photovoltaics and their acceptance in society, even though the amounts of lead in the solar cells are low. This fact opened up a new research field on lead-free metal halide perovskites, which is currently remarkably vivid. We took this as incentive to review this emerging research field and discuss possible alternative elements to replace lead in metal halide perovskites and the properties of the corresponding perovskite materials based on recent theoretical and experimental studies. Up to now, tin-based perovskites turned out to be most promising in terms of power conversion efficiency; however, also the toxicity of these tin-based perovskites is argued. In the focus of the research community are other elements as well including germanium, copper, antimony, or bismuth, and the corresponding perovskite compounds are already showing promising properties.Graphical abstract

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“…Hong et al also studied AB(Ch,X) 3 compounds (A = Cs or Ba; B = Sb or Bi; Ch = chalcogen; X = halogen) based on DFT calculations and solid‐state reaction. They showed that these quaternary perovskites are thermodynamically unstable and tend to decompose to binary and ternary compounds or nonperovskite structures …”

Section: Nonhalide Perovskitesmentioning

confidence: 99%

Perovskite Solar Absorbers: Materials by Design

Yang

et al. 2018

Small Methods

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Solar‐cell materials with a tetrahedral diamond structure and its derived structures (i.e., zinc blende and chalcopyrite) are the most successful family of materials, with power conversion efficiencies exceeding 20%. Recent breakthroughs based on lead halide perovskites have inspired intensive research on low‐cost photovoltaics beyond diamond‐structured materials. While research has focused on addressing the key challenges faced by lead halide perovskites, that is, the stability and toxicity issues, it is of greater interest to develop perovskites into a new family of solar‐cell materials. Here, the recent efforts toward this goal are reviewed. The focus is on computational materials design, including single, double, 2D, and nonhalide perovskites and perovskite‐like materials. Meanwhile, related experiments are also reviewed with a hope that such this will help identify potential issues as well as enlightening ideas to achieve further computation‐driven materials discovery.

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Viability of Lead-Free Perovskites with Mixed Chalcogen and Halogen Anions for Photovoltaic Applications

Cited by 79 publications

References 43 publications

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

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

Progress on lead-free metal halide perovskites for photovoltaic applications: a review

Perovskite Solar Absorbers: Materials by Design

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