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Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure

Kevin Hendrickx (UGent) , Jonas Joos (UGent) , Arthur De Vos (UGent) , Dirk Poelman (UGent) , Philippe Smet (UGent) , Veronique Van Speybroeck (UGent) , Pascal Van Der Voort (UGent) and Kurt Lejaeghere (UGent)
(2018) INORGANIC CHEMISTRY. 57(9). p.5463-5474
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Abstract
Lanthanide-based metal organic frameworks show very limited stabilities, which impedes their use in applications exploiting their extraordinary electronic properties, such as luminescence and photocatalysis. This study demonstrates a fast and easy microwave procedure to dope UiO-66, an exceptionally stable and tunable Zr-based metal organic framework. The generally applicable synthesis methodology is used to incorporate different transition metal and lanthanide ions. Selected experiments on these newly synthesized materials allow us to construct an energy scheme of lanthanide energy levels with respect to the UiO-66 host. The model is confirmed via absolute intensity measurements and provides an intuitive way to understand charge transfer mechanisms in these doped UiO-66 materials. Density functional theory calculations on a subset of materials moreover improve our understanding of the electronic changes in doped UiO-66 and corroborate our empirical model.
Keywords
METAL-ORGANIC FRAMEWORKS, DENSITY-FUNCTIONAL THEORY, CATION-EXCHANGE, INORGANIC-COMPOUNDS, LUMINESCENCE, SOLIDS, MOFS, PHOTOCATALYSIS, STABILITY, PHOSPHORS

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MLA
Hendrickx, Kevin et al. “Exploring Lanthanide Doping in UiO-66 : a Combined Experimental and Computational Study of the Electronic Structure.” INORGANIC CHEMISTRY 57.9 (2018): 5463–5474. Print.
APA
Hendrickx, K., Joos, J., De Vos, A., Poelman, D., Smet, P., Van Speybroeck, V., Van Der Voort, P., et al. (2018). Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure. INORGANIC CHEMISTRY, 57(9), 5463–5474.
Chicago author-date
Hendrickx, Kevin, Jonas Joos, Arthur De Vos, Dirk Poelman, Philippe Smet, Veronique Van Speybroeck, Pascal Van Der Voort, and Kurt Lejaeghere. 2018. “Exploring Lanthanide Doping in UiO-66 : a Combined Experimental and Computational Study of the Electronic Structure.” Inorganic Chemistry 57 (9): 5463–5474.
Chicago author-date (all authors)
Hendrickx, Kevin, Jonas Joos, Arthur De Vos, Dirk Poelman, Philippe Smet, Veronique Van Speybroeck, Pascal Van Der Voort, and Kurt Lejaeghere. 2018. “Exploring Lanthanide Doping in UiO-66 : a Combined Experimental and Computational Study of the Electronic Structure.” Inorganic Chemistry 57 (9): 5463–5474.
Vancouver
1.
Hendrickx K, Joos J, De Vos A, Poelman D, Smet P, Van Speybroeck V, et al. Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure. INORGANIC CHEMISTRY. 2018;57(9):5463–74.
IEEE
[1]
K. Hendrickx et al., “Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure,” INORGANIC CHEMISTRY, vol. 57, no. 9, pp. 5463–5474, 2018.
@article{8563165,
  abstract     = {Lanthanide-based metal organic frameworks show very limited stabilities, which impedes their use in applications exploiting their extraordinary electronic properties, such as luminescence and photocatalysis. This study demonstrates a fast and easy microwave procedure to dope UiO-66, an exceptionally stable and tunable Zr-based metal organic framework. The generally applicable synthesis methodology is used to incorporate different transition metal and lanthanide ions. Selected experiments on these newly synthesized materials allow us to construct an energy scheme of lanthanide energy levels with respect to the UiO-66 host. The model is confirmed via absolute intensity measurements and provides an intuitive way to understand charge transfer mechanisms in these doped UiO-66 materials. Density functional theory calculations on a subset of materials moreover improve our understanding of the electronic changes in doped UiO-66 and corroborate our empirical model.},
  author       = {Hendrickx, Kevin and Joos, Jonas and De Vos, Arthur and Poelman, Dirk and Smet, Philippe and Van Speybroeck, Veronique and Van Der Voort, Pascal and Lejaeghere, Kurt},
  issn         = {0020-1669},
  journal      = {INORGANIC CHEMISTRY},
  keywords     = {METAL-ORGANIC FRAMEWORKS,DENSITY-FUNCTIONAL THEORY,CATION-EXCHANGE,INORGANIC-COMPOUNDS,LUMINESCENCE,SOLIDS,MOFS,PHOTOCATALYSIS,STABILITY,PHOSPHORS},
  language     = {eng},
  number       = {9},
  pages        = {5463--5474},
  title        = {Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure},
  url          = {http://dx.doi.org/10.1021/acs.inorgchem.8b00425},
  volume       = {57},
  year         = {2018},
}

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