Anomalous Diffusion and Decay of Clusters of Dopants in Lanthanide-Doped Nanocrystals.

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Title: Anomalous Diffusion and Decay of Clusters of Dopants in Lanthanide-Doped Nanocrystals.
Authors: Pawlik, Grzegorz1 (AUTHOR) grzegorz.pawlik@pwr.edu.pl, Mitus, Antoni C.1,2 (AUTHOR)
Source: Materials (1996-1944). Feb2025, Vol. 18 Issue 4, p815. 15p.
Subjects: Monte Carlo method, Complex ions, High temperatures, Phase diagrams, Nanocrystals, Photon upconversion
Abstract: Upconversion (UC) luminescence in doped lanthanide nanocrystals is associated with the energy migration (EM) process within clusters of dopant ions. The process of the synthesis of core–shell nanocrystals occurs at elevated temperatures, promoting the diffusion of the dopants into the shell accompanied by the decay of dopant clusters. The details of this unwanted effect are poorly understood. In this paper, we theoretically study a model of the diffusion of dopant ions in a nanocrystal using Monte Carlo (MC) simulations. We characterize the diffusion, spatial neighboring relations and clustering of dopant ions regarding the function of reduced temperature and MC time of the heating process. The dopants undergo a weak subdiffusion caused by trapping effects. The main results of this study are as follows: (i) the phase diagram of the variables reduced the temperature and MC time, which separates the enhanced and limited cluster-driven EM regimes, and (ii) a dependence of the average nearest distance between Yb ions as a function of reduced temperature, the concentration of Yb ions and MC time was found. In both cases, the requirements for an effective EM are formulated. [ABSTRACT FROM AUTHOR]
Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Anomalous Diffusion and Decay of Clusters of Dopants in Lanthanide-Doped Nanocrystals.
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  Data: <searchLink fieldCode="JN" term="%22Materials+%281996-1944%29%22">Materials (1996-1944)</searchLink>. Feb2025, Vol. 18 Issue 4, p815. 15p.
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  Data: <searchLink fieldCode="DE" term="%22Monte+Carlo+method%22">Monte Carlo method</searchLink><br /><searchLink fieldCode="DE" term="%22Complex+ions%22">Complex ions</searchLink><br /><searchLink fieldCode="DE" term="%22High+temperatures%22">High temperatures</searchLink><br /><searchLink fieldCode="DE" term="%22Phase+diagrams%22">Phase diagrams</searchLink><br /><searchLink fieldCode="DE" term="%22Nanocrystals%22">Nanocrystals</searchLink><br /><searchLink fieldCode="DE" term="%22Photon+upconversion%22">Photon upconversion</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: Upconversion (UC) luminescence in doped lanthanide nanocrystals is associated with the energy migration (EM) process within clusters of dopant ions. The process of the synthesis of core–shell nanocrystals occurs at elevated temperatures, promoting the diffusion of the dopants into the shell accompanied by the decay of dopant clusters. The details of this unwanted effect are poorly understood. In this paper, we theoretically study a model of the diffusion of dopant ions in a nanocrystal using Monte Carlo (MC) simulations. We characterize the diffusion, spatial neighboring relations and clustering of dopant ions regarding the function of reduced temperature and MC time of the heating process. The dopants undergo a weak subdiffusion caused by trapping effects. The main results of this study are as follows: (i) the phase diagram of the variables reduced the temperature and MC time, which separates the enhanced and limited cluster-driven EM regimes, and (ii) a dependence of the average nearest distance between Yb ions as a function of reduced temperature, the concentration of Yb ions and MC time was found. In both cases, the requirements for an effective EM are formulated. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.3390/ma18040815
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      – Code: eng
        Text: English
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        Type: general
      – SubjectFull: Complex ions
        Type: general
      – SubjectFull: High temperatures
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      – SubjectFull: Phase diagrams
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      – SubjectFull: Nanocrystals
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      – SubjectFull: Photon upconversion
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      – TitleFull: Anomalous Diffusion and Decay of Clusters of Dopants in Lanthanide-Doped Nanocrystals.
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              Text: Feb2025
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              Y: 2025
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