Mechanism of Quantum Cutting in Yb-Doped CsPbCl<sub>3</sub>

Yb-doped CsPbCl<sub>3</sub> has been widely studied during the past few decades because of its high photoluminescence quantum yields (due to quantum cutting) and its application as a spectral converter in solar cells. Two controversial mechanisms for the quantum-cutting process have been proposed, both involving a defect state, but with different energy levels and energy-transfer mechanisms. In order to clarify the mechanism of the quantum-cutting process, different Yb configurations in CsPbCl<sub>3</sub> are studied with density-functional theory, the most favorable energetically being two Yb<sup>3+</sup> ions along with a Pb vacancy distributed in a right-angle configuration. An additional Cl vacancy close to this impurity complex is then shown to be essential to create a shallow defect state that can enable quantum cutting. The important role of the Cl vacancy is also analyzed in quantum cutting in Yb-doped CsPbCl<sub>3(1-<i>x</i>)</sub>Br<sub><i>x</i></sub>.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2025-02-24
DOI
https://doi.org/10.1021/acs.jpclett.5c00150
Citations
9
Primary Topic
Perovskite Materials and Applications
Type
article
Field-Weighted Citation Impact
6.57

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article

Mechanism of Quantum Cutting in Yb-Doped CsPbCl3

Tze Chien Sum, Subodh G. Mhaisalkar, S. A. Blundell, Annalisa Bruno et al.
9 citations
The Journal of Physical Chemistry Letters
Perovskite Materials and Applications
6.57
article

Mechanism of Quantum Cutting in Yb-Doped CsPbCl3

Tze Chien Sum, Subodh G. Mhaisalkar, S. A. Blundell, Annalisa Bruno, Siow Mean Loh, Yao Jing
article en
9 citations

Abstract

Yb-doped CsPbCl<sub>3</sub> has been widely studied during the past few decades because of its high photoluminescence quantum yields (due to quantum cutting) and its application as a spectral converter in solar cells. Two controversial mechanisms for the quantum-cutting process have been proposed, both involving a defect state, but with different energy levels and energy-transfer mechanisms. In order to clarify the mechanism of the quantum-cutting process, different Yb configurations in CsPbCl<sub>3</sub> are studied with density-functional theory, the most favorable energetically being two Yb<sup>3+</sup> ions along with a Pb vacancy distributed in a right-angle configuration. An additional Cl vacancy close to this impurity complex is then shown to be essential to create a shallow defect state that can enable quantum cutting. The important role of the Cl vacancy is also analyzed in quantum cutting in Yb-doped CsPbCl<sub>3(1-<i>x</i>)</sub>Br<sub><i>x</i></sub>.

The Journal of Physical Chemistry LettersVol. 16(9)
Institut polytechnique de Grenoble (FR), Centre National de la Recherche Scientifique (FR), Nanyang Technological University (SG), Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR), CEA Grenoble (FR), Université Bourgogne Franche-Comté (FR), Sungkyunkwan University (KR), Université Grenoble Alpes (FR)
National Research Foundation Singapore, Ministry of Education - Singapore, Commissariat à l'Énergie Atomique et aux Énergies Alternatives, Grand Équipement National De Calcul Intensif
Openalex Percentile: Top 3%
Perovskite Materials and Applications
6.57
DOISourceOpenAlex
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