Interaction of oxygen with halide perovskites

Senocrate, Alessandro; Acartürk, Tolga; Kim, Gee Yeong; Merkle, Rotraut; Starke, Ulrich; Grätzel, Michaël; Maier, Joachim

doi:10.1039/c8ta04537b

Cited by 166 publications

(225 citation statements)

References 43 publications

Supporting

Mentioning

198

Contrasting

Order By: Relevance

“…From above simulations, it is clear that the spontaneous diffusion of oxygen in lattice of perovskite is difficult at room temperature. This is in agreement with a recent experimental work by Senocrate et al, in which the incorporation of O 2 in MAPbI 3 films has been found to be poor and sluggish. At higher temperatures (>323 K), the phase transition from the tetragonal to the cubic reduces the interspace between the inorganic frameworks, leading to more sluggish oxygen diffusion.…”

Section: Resultssupporting

confidence: 93%

“…Specifically, the influence of oxygen and light on MAPbI 3 has attracted great attention recently, and the study on improving the stability of MAPbI 3 against photo‐oxidation is springing up . Zhang and Sit have reported a pathway for breaking of the local octahedral Pb–I structure and the formation of the PbO precursor .…”

Section: Introductionmentioning

confidence: 99%

“…Nevertheless, some recent experimental results have raised new questions concerning oxygen diffusion and accelerated photo‐oxidation. Sun et al reported that oxygen induced degradation was initiated at the perovskite layer surface and grain boundaries, while Senocrate et al demonstrated that oxygen incorporation into the lattice was negligible . However, Aristidou et al suggested that fast oxygen diffusion inside the perovskite particles led to the corrosion .…”

Section: Introductionmentioning

confidence: 99%

“…Specifically, the influence of oxygen and light on MAPbI 3 has attracted great attention recently, [26][27][28] and the study on improving the stability of MAPbI 3 against photo-oxidation is springing up. [29][30][31] Zhang and Sit have reported a pathway www.advancedsciencenews.com www.small-methods.com case of PbI 2 -terminated surface, with the oxygen molecule diffusing from surface to the first layer, the total energy rises by 0.20 eV (Figure 1a).…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Role of Water and Defects in Photo‐Oxidative Degradation of Methylammonium Lead Iodide Perovskite

Ouyang

Shi

et al. 2019

Small Methods

View full text Add to dashboard Cite

Great progress has been made in improving power conversion efficiency of perovskite solar cells (PSCs), and now the pressing issue is the poor stability of organic–inorganic halide perovskites under ambient conditions. Degradation of MAPbI3 induced by light and oxygen is a dominant factor limiting the lifetime of PSCs. Here, based on ab initio molecular dynamics simulations and first‐principles density functional theory calculations, the interactions between oxygen, water, and surface defects of MAPbI3 are investigated. It is found that the photo‐oxidation of MAPbI3 concentrates on the surface of the crystal, and this degradation can be accelerated by surface iodine vacancy and moisture. When oxygen coadsorbs with water molecules or oxygen adsorbs at the iodine vacancy on the MAPbI3 surface, the energy levels of adsorbed O2 are significantly lowered, facilitating the photoexcited electron transfer and the formation of reactive superoxide anions (O2−). The understanding of the role of water and defects in MAPbI3 photo‐oxidation from this study paves the way for further optimization of stable perovskite solar cells.

show abstract

Section: Resultssupporting

confidence: 93%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Role of Water and Defects in Photo‐Oxidative Degradation of Methylammonium Lead Iodide Perovskite

Ouyang

Shi

et al. 2019

Small Methods

View full text Add to dashboard Cite

show abstract

“…They found that photogenerated electrons in a device can reduce oxygen and form superoxide O 2 − , which can effectively bind to electron traps. However, superoxide O 2 − species are not always advantageous to perovskites and have been shown to be the origin of the degradation of perovskite films under light and oxygen exposure . We therefore minimized light exposure to our samples during processing, storage, and measurement.…”

Section: Resultsmentioning

confidence: 99%

Ambient Air Stability of Hybrid Perovskite Thin‐Film Transistors by Ambient Air Processing

Mativenga

Hoang

et al. 2020

Adv Materials Inter

View full text Add to dashboard Cite

Despite the widespread research on organic–inorganic hybrid perovskites, the ambient air instability and ion migration‐induced hysteresis in the current–voltage characteristics of their devices remain unsolved. Here, it is shown that stable ambient air operation of methylammonium lead iodide (MAPbI3) thin‐film transistors can be achieved by solution processing of the MAPbI3 film in ambient air via solvent engineering. N,N‐dimethylformamide (DMF), mixed with dimethyl sulfoxide (DMSO) and hydroiodic acid (HI), is found to be the most suitable solvent for one‐step deposition in ambient air. While the HI promotes homogeneous nucleation, the low boiling point of DMF and the high vapor pressure and strong Lewis base property of DMSO lead to fast crystallization and consequent large grain size. The oxygen in air passivates grain boundary defects, thereby improving lateral conduction and minimizing grain boundary defect‐mediated ion migration. This approach paves the way for the simple fabrication of hybrid perovskites by eliminating the need for well‐controlled inert environments and provides a solution for the problem of ambient air stability in perovskite devices.

show abstract

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

Jacobs

Luo

Morgan

2019

Adv Funct Materials

View full text Add to dashboard Cite

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.

show abstract

Interaction of oxygen with halide perovskites

Abstract: Thermodynamics shows halide perovskites to be highly unstable against oxygen. Light accelerates O2 interaction kinetics. The materials stays metastable in the dark.

Cited by 166 publications

References 43 publications

Role of Water and Defects in Photo‐Oxidative Degradation of Methylammonium Lead Iodide Perovskite

Role of Water and Defects in Photo‐Oxidative Degradation of Methylammonium Lead Iodide Perovskite

Ambient Air Stability of Hybrid Perovskite Thin‐Film Transistors by Ambient Air Processing

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

Contact Info

Product

Resources

About