Analysis of the Local Atomic Structure of the MIL-88а Metal–Organic Framework by Computer Simulation Using XANES Data
- Authors: Medvedev P.V.1, Soldatov M.A.1, Shapovalov V.V.1, Tereshchenko A.A.1, Gorban’ I.E.1, Fedorenko A.G.1, Soldatov A.V.1
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Affiliations:
- International Research Center Smart Materials
- Issue: Vol 108, No 5 (2018)
- Pages: 318-325
- Section: Condensed Matter
- URL: https://journals.rcsi.science/0021-3640/article/view/161269
- DOI: https://doi.org/10.1134/S0021364018170083
- ID: 161269
Cite item
Abstract
Experimental X-ray absorption spectra near the Fe K edge for as-synthesized MIL-88а metal–organic framework (MIL stands for Materials Institute Lavoisier) before and after activation have been obtained and analyzed for the first time. The theoretical analysis of experimental spectra has revealed changes in the local atomic structure of iron at the desorption of water from pores of the studied material in the process of activation.
About the authors
P. V. Medvedev
International Research Center Smart Materials
Author for correspondence.
Email: pavelmedvedev1994@gmail.com
Russian Federation, Rostov-on-Don, 344090
M. A. Soldatov
International Research Center Smart Materials
Email: pavelmedvedev1994@gmail.com
Russian Federation, Rostov-on-Don, 344090
V. V. Shapovalov
International Research Center Smart Materials
Email: pavelmedvedev1994@gmail.com
Russian Federation, Rostov-on-Don, 344090
A. A. Tereshchenko
International Research Center Smart Materials
Email: pavelmedvedev1994@gmail.com
Russian Federation, Rostov-on-Don, 344090
I. E. Gorban’
International Research Center Smart Materials
Email: pavelmedvedev1994@gmail.com
Russian Federation, Rostov-on-Don, 344090
A. G. Fedorenko
International Research Center Smart Materials
Email: pavelmedvedev1994@gmail.com
Russian Federation, Rostov-on-Don, 344090
A. V. Soldatov
International Research Center Smart Materials
Email: pavelmedvedev1994@gmail.com
Russian Federation, Rostov-on-Don, 344090
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