Compositional effect on water adsorption on metal halide perovskites

Li, Qihua; Chen, Zehua; Tranca, Ionuţ; Gaastra-Nedea, Silvia V.; Smeulders, David; Tao, Shuxia

doi:10.1016/j.apsusc.2020.148058

Cited by 39 publications

(50 citation statements)

References 73 publications

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“…However, the toxicity of Pb and solvent would hinder the manufacturing process until a robust encapsulation process is well-developed. A recent computational study provided in-depth understanding and strategies to improving the stability of PSCs against moisture through compositional engineering (Li et al, 2021). More studies could be performed in this direction to achieve a Pb-free ambient air-processed PSC.…”

Section: Discussionmentioning

confidence: 99%

“…Computational studies also showed that aqueous solutions inhabited the formation process of perovskites, but small amount of water could be added as an additive for the deposition of perovskite materials (Radicchi et al, 2020). A study has been conducted recently to provide a comprehensive understanding of the improvement of PSC stability against water molecules through compositional engineering (Li et al, 2021). Initial studies have been conducted on the synthesis of water-stable perovskites for the application of light-emitting devices (Jana and Kim, 2018;Ba et al, 2019).…”

Section: (Ch 3 Nhmentioning

confidence: 99%

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The Challenge of Ambient Air–Processed Organometallic Halide Perovskite: Technology Transfer From Spin Coating to Meniscus Blade Coating of Perovskite Thin Films

Fong

2021

Front. Mater.

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The development of perovskite solar cells (PSCs) has been extensively studied in the past decade, and the power conversion efficiency (PCE) has reached a record of 25.2%. Despite impressively high PCE, the fabrication process mainly relied on a well-controlled environment, an inert gas–filled glovebox, and devices of small areas were demonstrated. This impedes the technology transfer from laboratory scale spin coating to manufacturing ambient air scalable processes. Furthermore, the nucleation and crystal growth processes of the perovskite thin films are different when the films are prepared in different environmental conditions. In this review, we summarize the recent advances of ambient air–processed organometallic halide perovskite thin films. Focuses are made on the impact of ambient air conditions, typically adventitious moisture, on the crystallization of perovskites thin films. The challenges and strategies in the technology transfer from the glovebox or ambient air spin coating to scalable meniscus blade coating are also discussed to shed light on the manufacture of ambient air–processed PSCs.

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Section: Discussionmentioning

confidence: 99%

Section: (Ch 3 Nhmentioning

confidence: 99%

The Challenge of Ambient Air–Processed Organometallic Halide Perovskite: Technology Transfer From Spin Coating to Meniscus Blade Coating of Perovskite Thin Films

Fong

2021

Front. Mater.

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“…e europium sorption isotherms as a function of time were developed by estimating the concentration of europium nitrate retained in tausonite at different contact times (1,2,3,4,5,7,16,18,20,22,24, and 48 h). Sorption kinetics were modelled using pseudo-order expressions (0.5 ≤ n ≤ 2), based on the reduced Van't Hoff equation (see equation (1)) and compared with empirical pseudo-first-order model (Lagergren and Elovich equation), pseudo-second-order, and intraparticle diffusion.…”

Section: Sorption Kinetics Modellingmentioning

confidence: 99%

“…Perovskites are crystalline metal oxides with the general formula ABO 3 , in which A can be rare earth (mainly lanthanides) or an alkali or alkaline earth metal and B is a transition metal [1,2]. ese oxides are excellent light absorbers and their properties include tunable band gaps, low exciton binding energy, high carrier mobility, long diffusion length, and so on [3], and, also, they have a narrow band gap (semiconductor), for which they could be considered as good candidates for thermoelectric generators [4,5]. Among the different structures of perovskites, those of the ATiO 3 type (A � Ca, Ba, Sr, etc.)…”

Section: Introductionmentioning

confidence: 99%

Prediction of Europium Retention in Perovskite: Potential Candidates for an Engineering Barrier in the Disposal of Radioactive Waste

Ortiz-Oliveros

Espinosa

Ávila-Pérez

et al. 2021

Journal of Chemistry

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Perovskites, such as tausonite, are crystalline metal oxides with excellent optical and photocatalytic properties and have also been used successfully in the retention of metals, simulating the isotopes of uranium and plutonium. In this work, different pseudo-order and thermodynamic models were studied to achieve the prediction of the sorption of Eu3+ (chemical analogous for actinides) in tausonite. The effects of gamma irradiation and temperature on the structural characteristics of the material were determined, as an additional step in the evaluation of material as an engineering barrier in the disposal of radioactive waste. The results obtained show that the tausonite is resistant to the gamma irradiation and thermal energy. Likewise, it was possible to determine that europium sorption occurs through an exothermic and spontaneous reaction, as well as through the formation of surface complexes, where Eu3+ ions bind to sites on the tausonite by dipole-dipole interaction. Furthermore, it was shown that the sorption mechanism is influenced by diffusive phenomena, which participate in the formation of surface complexes. Additionally, a new sorption model with respect to pH was proposed, which allowed determining the physical parameter π. The evidence obtained suggests that π is a physical parameter that relates pH to an optimal value and could explain the equilibrium between the surface complexes that tausonite forms with europium. Likewise, the evidence suggests that 50 kg of tausonite would have the capacity to retain at least 26.59 g of alpha-emitting radionuclides, equivalent to a waste package (900 kg) with a maximum activity of 4000 Bq/g.

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“…42 As iodide vacancies are the primary adsorption sites for both water vapor and oxygen, this can act as a generation reaction of new adsorption sites. 19,42,45 However, due to the mismatch in time scales between vacancy generation from holes and material degradation, 42 as well as the presence of many other adsorption sites for degradation, 45,55 the assumption that total adsorption site density is constant remains valid on these early timescales, leading to the same rate expressions for and (see (see §8 of Supporting Information for more details). Assuming the rate order of NSUNS in dry air is equal to the power law dependence between NSUNS and electron concentration (and consequently ae), 41,47 we see that rate constant data in humid air is better fit to…”

Section: This Could Be Especially Problematic With Water Since the Wamentioning

confidence: 99%

Water-Accelerated Photo-oxidation of CH3NH3PbI3 Perovskite: Mechanism, rate orders, and rate constants

Siegler

Dunlap-Shohl

Meng

et al. 2021

Preprint

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Understanding the chemical reactions that hybrid organic-inorganic halide perovskite (HP) semiconductors undergo in the presence of moisture, oxygen, and light are essential to the commercial development of HP solar cells and optoelectronics. Here we use optical absorbance to study the kinetics of methylammonium lead iodide (MAPbI3) degradation in response to combinations of moisture, oxygen, and illumination over a range of temperatures. We identify two primary reaction pathways that dominate MAPbI3 material degradation in these mixed environmental conditions: (1) dry photooxidation (DPO) due to the combined role of oxygen and photoexcited electrons (with a rate of 9 x 10 -9 mol/m 2 s in dry air at 25 o C and an activation energy of 0.47 eV),** and (2) a water-accelerated photooxidation (WPO) process due to the combined role of water, oxygen, and photoexcited electrons (with a rate of 1 x 10 -7 mol/m 2 s in 50% RH air at 25 o C and EA=0.08 eV). Commonly reported humidity-only, blue light, and thermal degradation pathways are demonstrated to have rates that are respectively 100, 1000, and >1000 times slower than predominant photooxidation processes. Extracting kinetic rate constants from the dynamics of the initial degradation, we calculate that in dry air, photooxidation of MAPbI3 proceeds with 1 st order kinetics with respect to concentration of excess conduction band electrons and 0 th order kinetics with respect to oxygen. In humid air, photooxidation of MAPbI3 exhibits first order kinetics with respect to the partial pressure of water in the vapor phase (PH2O). However, with respect to oxygen in the vapor phase (PO2) and excess concentration of photoexcited electrons (n), kinetics follow a /(1 + ) 2 relationship with respect to rate. We then identify a plausible reaction mechanism for degradation of MAPbI3 material that is consistent with these rate orders. The rate determining step for DPO is proton abstraction from methylammonium while for WPO it is proton abstraction from water, which occurs at a faster rate and results in water acting as an accelerant for photooxidation of MAPbI3. Rate laws derived from this mechanism were fit to the entire dataset to extract rate constants for DPO and WPO processes. Combining the rate equations with mass transport modeling may yield mechanistic predictive models of PV device service lifetime for different encapsulation schemes. There is disagreement in the literature as to whether water is a product of DPO. If water is a product, then encapsulation regimes must be developed to rigorously block oxygen, or else, over longer time periods, water will accumulate inside the packaging and kick-off a much faster WPO process. ** Important note related to this version of the pre-print: We have measured high sensitivity to low levels of moisture in the degradations since the WPO is faster and lower activation energy.For degradation runs where extra measures are taken to eliminate trace levels of moisture, the rate of reaction in "dry" air drops and the activation energy increases....

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Compositional effect on water adsorption on metal halide perovskites

Cited by 39 publications

References 73 publications

The Challenge of Ambient Air–Processed Organometallic Halide Perovskite: Technology Transfer From Spin Coating to Meniscus Blade Coating of Perovskite Thin Films

The Challenge of Ambient Air–Processed Organometallic Halide Perovskite: Technology Transfer From Spin Coating to Meniscus Blade Coating of Perovskite Thin Films

Prediction of Europium Retention in Perovskite: Potential Candidates for an Engineering Barrier in the Disposal of Radioactive Waste

Water-Accelerated Photo-oxidation of CH3NH3PbI3 Perovskite: Mechanism, rate orders, and rate constants

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