Improvement of energy gap prediction for hybrid perovskite materials by first-principle calculation

Amnuyswat, K.; Thanomngam, Pitiporn

doi:10.1063/1.5053185

Cited by 3 publications

(1 citation statement)

References 21 publications

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“…3 4. 20,21 We speculated that this could be due to the different combinations of cations; this phenomenon will be discussed with the optical properties of the anion-exchanged CsPbBr 3 PeNCs, using the HSAB theory.…”

Section: Resultsmentioning

confidence: 99%

Investigation of the Role of Cations during Anion Exchange in All-Inorganic Halide Perovskite Nanocrystals

Ahn

Lee

Kim

et al. 2021

ECS J. Solid State Sci. Technol.

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All-inorganic lead halide perovskite nanocrystals (PeNCs) exhibit tunable optical bandgap energies by adjusting their compositions. PeNC-based optical or optoelectronic devices have been developed using the anion exchange strategy, which can replace the X-site anion with the target halide without phase transition. Thus, various methods for adjusting the anions in PeNCs have been developed; however, the cation effect on anion exchange has rarely been discussed. Here, we investigated the effect of cations on the optical bandgap energy and stability of CsPbX 3 (X = Cl, Br, and I) PeNCs by analyzing as cation candidates NH 4 + , Na + , K + , and TBA + . Among them, NH 4 Cl and NaI are efficient anion-exchanging chemicals because they effectively provide Cl − or I − , respectively, to PeNCs without structural deformation. The halide sources allow exchange in the composition of PeNCs under benign conditions, such as atmospheric conditions and 298 K. This phenomenon is explained using the hard-soft acid-base (HSAB) theory. We believe that these findings will contribute to the improvement of optoelectronic devices, such as solar cells, displays, and light-emitting diodes (LEDs).

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Section: Resultsmentioning

confidence: 99%

Investigation of the Role of Cations during Anion Exchange in All-Inorganic Halide Perovskite Nanocrystals

Ahn

Lee

Kim

et al. 2021

ECS J. Solid State Sci. Technol.

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Band gap prediction of the alloying halide perovskites using GW compare to DFT-1/2 method

Amnuyswat

Thanomngam

2020

The Second Materials Research Society of Thailand International Conference

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Aging of absorbent layer of perovskite CH₃NH₃PbI₃ in the local weather of Djelfa region during one year

Ayad,

Naas,

Selmi

2023

2023 1st International Conference on Renewable Solutions for Ecosystems: Towards a Sustainable Energy Transition (ICRSEtoSET)

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Improvement of energy gap prediction for hybrid perovskite materials by first-principle calculation

Cited by 3 publications

References 21 publications

Investigation of the Role of Cations during Anion Exchange in All-Inorganic Halide Perovskite Nanocrystals

Investigation of the Role of Cations during Anion Exchange in All-Inorganic Halide Perovskite Nanocrystals

Band gap prediction of the alloying halide perovskites using GW compare to DFT-1/2 method

Aging of absorbent layer of perovskite CH₃NH₃PbI₃ in the local weather of Djelfa region during one year

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Improvement of energy gap prediction for hybrid perovskite materials by first-principle calculation

Cited by 3 publications

References 21 publications

Investigation of the Role of Cations during Anion Exchange in All-Inorganic Halide Perovskite Nanocrystals

Investigation of the Role of Cations during Anion Exchange in All-Inorganic Halide Perovskite Nanocrystals

Band gap prediction of the alloying halide perovskites using GW compare to DFT-1/2 method

Aging of absorbent layer of perovskite CH3NH3PbI3 in the local weather of Djelfa region during one year

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Aging of absorbent layer of perovskite CH₃NH₃PbI₃ in the local weather of Djelfa region during one year