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Entrapped Molecule-...
Entrapped Molecule-Like Europium-Oxide Clusters in Zinc Oxide with Nearly Unaffected Host Structure
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- Mukherjee, Soham (författare)
- Uppsala universitet,Energimaterialens fysik
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- Naim Katea, Sarmad (författare)
- Uppsala universitet,Oorganisk kemi
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- Rodrigues, Emille M. (författare)
- Univ Ottawa, Dept Chem & Biomol Sci, Ottawa, ON K1N 6N5, Canada.
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- Segre, Carlo. U. (författare)
- IIT, Ctr Synchrotron Radiat Res & Instrumentat, Dept Phys, Chicago, IL 60616 USA.
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- Hemmer, Eva (författare)
- Univ Ottawa, Dept Chem & Biomol Sci, Ottawa, ON K1N 6N5, Canada.
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- Broqvist, Peter (författare)
- Uppsala universitet,Strukturkemi
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- Rensmo, Håkan (författare)
- Uppsala universitet,Energimaterialens fysik
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- Westin, Gunnar, Professor, 1961- (författare)
- Uppsala universitet,Oorganisk kemi
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(creator_code:org_t)
- 2022-11-20
- 2023
- Engelska.
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Ingår i: Small. - : Wiley-VCH Verlagsgesellschaft. - 1613-6810 .- 1613-6829. ; 19:1
- Relaterad länk:
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https://doi.org/10.1...
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https://uu.diva-port... (primary) (Raw object)
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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
- Nanocrystalline ZnO sponges doped with 5 mol% EuO1.5 are obtained by heating metal–salt complex based precursor pastes at 200–900 °C for 3 min. X-ray diffraction, transmission electron microscopy, and extended X-ray absorption fine structure (EXAFS) show that phase separation into ZnO:Eu and c-Eu2O3 takes place upon heating at 700 °C or higher. The unit cell of the clean oxide made at 600 °C shows only ≈0.4% volume increase versus undoped ZnO, and EXAFS shows a ZnO local structure that is little affected by the Eu-doping and an average Eu3+ ion coordination number of ≈5.2. Comparisons of 23 density functional theory-generated structures having differently sized Eu-oxide clusters embedded in ZnO identify three structures with four or eight Eu atoms as the most energetically favorable. These clusters exhibit the smallest volume increase compared to undoped ZnO and Eu coordination numbers of 5.2–5.5, all in excellent agreement with experimental data. ZnO defect states are crucial for efficient Eu3+ excitation, while c-Eu2O3 phase separation results in loss of the characteristic Eu3+ photoluminescence. The formation of molecule-like Eu-oxide clusters, entrapped in ZnO, proposed here, may help in understanding the nature of the unexpected high doping levels of lanthanide ions in ZnO that occur virtually without significant change in ZnO unit cell dimensions.
Ämnesord
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Nyckelord
- density functional theory (DFT)
- dopant structures
- doped ZnO
- extended X-ray absorption fine structure (EXAFS)
- lanthanide doping
- solution processing
- sponges
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