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On the Mechanism fo...
On the Mechanism for the Extremely Efficient Sensitization of Yb3+ Luminescence in CsPbCl3 Nanocrystals
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- Li, Xiyu (författare)
- KTH,Teoretisk kemi och biologi
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- Duan, Sai (författare)
- KTH,Teoretisk kemi och biologi
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- Liu, Haichun (författare)
- KTH,Teoretisk kemi och biologi
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- Chen, Guanying (författare)
- Harbin Inst Technol, Sch Chem Engn & Technol, Harbin 150001, Heilongjiang, Peoples R China
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- Luo, Yi, 1965- (författare)
- KTH,Teoretisk kemi och biologi
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- Ågren, Hans (författare)
- KTH,Teoretisk kemi och biologi,School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin, Heilongjiang 150001, China ; Federal Siberian Research Clinical Centre under FMBA of Russia, 26 Kolomenskaya, Krasnoyarsk 660037, Russia
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(creator_code:org_t)
- 2019-01-14
- 2019
- Engelska.
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Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 10:3, s. 487-492
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Rare earth ion (RE3+)-doped inorganic CsPbX3 (X = Cl or Cl/Br) nanocrystals have been presented as promising materials for applications in solar-energy conversion technology. An extremely efficient sensitization of Yb3+ luminescence in CsPbCl3 nanoparticles (NCs) was very recently demonstrated where quantum cutting is responsible for the performance of photoluminescence quantum yields over 100% (T. J. Milstein, et al. Nano Letters 2018, 18, 3792). In the present work, based on the cubic phase of inorganic perovskite, we seek to obtain atom-level insight into the basic mechanisms behind these observations in order to boost the further development of RE3+-doped CsPbX3 NCs for optoelectronics. In our calculations of cubic crystal structure, we do not find any energy level formed in the middle of the band gap, which disfavors a mechanism of stepwise energy transfer from the perovskite host to two Yb3+ ions. Our work indicates that the configuration with "right-angle" Yb3+-V-Pb-Yb3+ couple is most likely to form in Yb3+-doped CsPbCl3. Associated with this "right-angle" couple, the "right-angle" Pb atom with trapped excited states would localize the photogenerated electrons and act as the energy donor in a quantum cutting process, which achieves simultaneous sensitization of two neighboring Yb3+ ions.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Nanoteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Nano-technology (hsv//eng)
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