An In-Situ Neutron Diffraction and DFT Study of Hydrogen Adsorption in a Sodalite-Type Metal-Organic Framework, Cu-BTTri
Herein we present a detailed study of the hydrogen adsorption properties of Cu-BTTri, a robust crystalline metal-organic framework containing open metal-coordination sites. Diffraction techniques, carried out on the activated framework, reveal a structure that is different from what was previously r...
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Bibliographische Detailangaben
| Veröffentlicht in: | European journal of inorganic chemistry. - 1998. - 2019(2019), 8 vom: 21.
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| 1. Verfasser: |
Asgari, Mehrdad
(VerfasserIn) |
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| Weitere Verfasser: |
Semino, Rocio,
Schouwink, Pascal,
Kochetygov, Ilia,
Trukhina, Olga,
Tarver, Jacob D,
Bulut, Safak,
Yang, Shuliang,
Brown, Craig M,
Ceriotti, Michele,
Queen, Wendy L |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2019
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| Zugriff auf das übergeordnete Werk: | European journal of inorganic chemistry
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| Schlagworte: | Journal Article
Density functional calculations
Hydrogen
Metal–organic frameworks
Neutron diffraction |
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