Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101
Functionalization of metal–organic frameworks results in higher hydrogen uptakes owing to stronger hydrogen–host interactions. However, it has not been studied whether a given functional group acts on existing adsorption sites (linker or metal) or introduces new ones. In this work, the effect of two...
| Main Authors: | , , , , , , , , , , |
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| Format: | Journal Article |
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American Chemical Society
2014
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| Online Access: | http://hdl.handle.net/20.500.11937/7666 |
| _version_ | 1848745435521351680 |
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| author | Szilagyi, Petra Weinrauch, I. Oh, H. Hirscher, M. Juan-Alcaniz, J. Serra-Crespo, P. Trzesniewski, B. Geerlings, H. Gascon, J. Grzech, A. van de Krol, R. Geerlings, H. |
| author_facet | Szilagyi, Petra Weinrauch, I. Oh, H. Hirscher, M. Juan-Alcaniz, J. Serra-Crespo, P. Trzesniewski, B. Geerlings, H. Gascon, J. Grzech, A. van de Krol, R. Geerlings, H. |
| author_sort | Szilagyi, Petra |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Functionalization of metal–organic frameworks results in higher hydrogen uptakes owing to stronger hydrogen–host interactions. However, it has not been studied whether a given functional group acts on existing adsorption sites (linker or metal) or introduces new ones. In this work, the effect of two types of functional groups on MIL-101 (Cr) is analyzed. Thermal-desorption spectroscopy reveals that the -Br ligand increases the secondary building unit’s hydrogen affinity, while the -NH2 functional group introduces new hydrogen adsorption sites. In addition, a subsequent introduction of -Br and -NH2 ligands on the linker results in the highest hydrogen-store interaction energy on the cationic nodes. The latter is attributed to a push-and-pull effect of the linkers. |
| first_indexed | 2025-11-14T06:17:19Z |
| format | Journal Article |
| id | curtin-20.500.11937-7666 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T06:17:19Z |
| publishDate | 2014 |
| publisher | American Chemical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-76662018-03-29T09:05:40Z Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101 Szilagyi, Petra Weinrauch, I. Oh, H. Hirscher, M. Juan-Alcaniz, J. Serra-Crespo, P. Trzesniewski, B. Geerlings, H. Gascon, J. Grzech, A. van de Krol, R. Geerlings, H. Functionalization of metal–organic frameworks results in higher hydrogen uptakes owing to stronger hydrogen–host interactions. However, it has not been studied whether a given functional group acts on existing adsorption sites (linker or metal) or introduces new ones. In this work, the effect of two types of functional groups on MIL-101 (Cr) is analyzed. Thermal-desorption spectroscopy reveals that the -Br ligand increases the secondary building unit’s hydrogen affinity, while the -NH2 functional group introduces new hydrogen adsorption sites. In addition, a subsequent introduction of -Br and -NH2 ligands on the linker results in the highest hydrogen-store interaction energy on the cationic nodes. The latter is attributed to a push-and-pull effect of the linkers. 2014 Journal Article http://hdl.handle.net/20.500.11937/7666 10.1021/jp5050628 American Chemical Society restricted |
| spellingShingle | Szilagyi, Petra Weinrauch, I. Oh, H. Hirscher, M. Juan-Alcaniz, J. Serra-Crespo, P. Trzesniewski, B. Geerlings, H. Gascon, J. Grzech, A. van de Krol, R. Geerlings, H. Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101 |
| title | Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101 |
| title_full | Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101 |
| title_fullStr | Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101 |
| title_full_unstemmed | Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101 |
| title_short | Interplay of Linker Functionalization and Hydrogen Adsorption in the Metal–Organic Framework MIL-101 |
| title_sort | interplay of linker functionalization and hydrogen adsorption in the metal–organic framework mil-101 |
| url | http://hdl.handle.net/20.500.11937/7666 |