Dataset Information

Study on the long time aging behavior of MAPbI₃: from experiment to first-principles simulation.

ABSTRACT: As the core functional layer of perovskite solar cells, the serious issues of the CH₃NH₃PbI₃ film related to the long-term stability and its rapid degradation when exposed to the environment should be investigated deeply. In this study, the variation of phase construction, light absorption ability and fluorescence quenching ability during the long time aging process have been monitored. The results show that the degradation process is composed of the original serious fluorescence quenching and the lag behind phase decomposition. Then, the intrinsic physical mechanism has been obtained by the first-principles simulation of defect properties, which shows that the original serious fluorescence emission quenching is attributed to the deep level defects with low formation energies (such as V_Pb and I_Pb); meanwhile, the lag behind phase decomposition is caused by the easy ionic diffusion; for example, the diffusion activation energy of the iodine ion is 0.286 eV. The results illustrate that both the defect passivation and prevention of the ion diffusion are necessary for achieving a stable perovskite film.

SUBMITTER: Li Y

PROVIDER: S-EPMC9667950 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature

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Study on the long time aging behavior of MAPbI3: from experiment to first-principles simulation.

Li Yan Y Dong Yu-Jing YJ He Hong H Chen Xue-Lian XL Jiang Hao H Jia Yu Y

RSC advances 20221116 51

As the core functional layer of perovskite solar cells, the serious issues of the CH3NH3PbI3 film related to the long-term stability and its rapid degradation when exposed to the environment should be investigated deeply. In this study, the variation of phase construction, light absorption ability and fluorescence quenching ability during the long time aging process have been monitored. The results show that the degradation process is composed of the original ser ...[more]

PMID: 36425187

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Project description:Agriculture faces potentially competing societal demands to produce food, fiber and fuel while reducing negative environmental impacts and delivering regulating, supporting and cultural ecosystem services. This necessitates a new generation of long-term agricultural field experiments designed to study the behavior of contrasting cropping systems in terms of multiple outcomes. We document the principles and practices of a new long-term experiment of this type at Rothamsted, established at two contrasting sites in 2017 and 2018, and report initial yield data at the crop and system level. The objective of the Large-Scale Rotation Experiment was to establish gradients of system properties and outcomes to improve our fundamental understanding of UK cropping systems. It is composed of four management factors-phased rotations, cultivation (conventional vs reduced tillage), nutrition (additional organic amendment vs standard mineral fertilization) and crop protection (conventional vs smart crop protection). These factors were combined in a balanced design resulting in 24 emergent cropping systems at each site and can be analyzed at the level of the system or component management factors. We observed interactions between management factors and with the environment on crop yields, justifying the systems level, multi-site approach. Reduced tillage resulted in lower wheat yields but the effect varied with rotation, previous-crop and site. Organic amendments significantly increased spring barley yield by 8% on average though the effect again varied with site. The plowed cropping systems tended to produce higher caloric yield overall than systems under reduced tillage. Additional response variables are being monitored to study synergies and trade-offs with outcomes other than yield at the cropping system level. The experiment has been established as a long-term resource for inter-disciplinary research. By documenting the design process, we aim to facilitate the adoption of similar approaches to system-scale agricultural experimentation to inform the transition to more sustainable cropping systems.Supplementary informationThe online version contains supplementary material available at 10.1007/s13593-023-00914-8.

Dataset Information

Study on the long time aging behavior of MAPbI₃: from experiment to first-principles simulation.

Publications

Study on the long time aging behavior of MAPbI<sub>3</sub>: from experiment to first-principles simulation.

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