Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane
Ammonia borane (AB) has attracted much attention in the field of solid-state hydrogen storage due to its high hydrogen storage capacity. Nanoconfinement in UiO-66 can reduce the hydrogen release temperature. In particular, terephthalic acid was used as a linker to further improve the dehydrogenation...
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MDPI AG
2025-03-01
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| Series: | Molecules |
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| author | Senliang Xi Dawei Xu Renzeng Chen Wenhao Yao Wenying Wu Teng Zhang Liang Yu |
| author_facet | Senliang Xi Dawei Xu Renzeng Chen Wenhao Yao Wenying Wu Teng Zhang Liang Yu |
| author_sort | Senliang Xi |
| collection | DOAJ |
| description | Ammonia borane (AB) has attracted much attention in the field of solid-state hydrogen storage due to its high hydrogen storage capacity. Nanoconfinement in UiO-66 can reduce the hydrogen release temperature. In particular, terephthalic acid was used as a linker to further improve the dehydrogenation properties through the modification of -NH<sub>2</sub>, -OH, -NO<sub>2</sub>, -Br, and -F groups. The hydrogen release content of 0.5AB/UiO-66 was 1.98 wt.%, whereas the hydrogen release content of UiO-66-2OH modified by -OH groups increased to 3.85 wt.%. The non-covalent interaction results show that -NH<sub>2</sub> and -OH preferred adsorption with -BH<sub>3</sub>, and the H in -NH<sub>2</sub> and -OH were able to interact directly with the H in AB to modify the dehydrogenation process of AB, whereas -NO<sub>2</sub>, -Br, and -F indirectly affected the charge density of hydrogen atoms in AB to alter the dehydrogenation property of AB. The modification of functional groups provides a theoretical basis for the design of high-performance MOF nanoconfinement AB composite hydrogen storage materials. |
| format | Article |
| id | doaj-art-a1699720851040c597139dbfcb9c1983 |
| institution | DOAJ |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-a1699720851040c597139dbfcb9c19832025-08-20T03:03:28ZengMDPI AGMolecules1420-30492025-03-01307148710.3390/molecules30071487Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia BoraneSenliang Xi0Dawei Xu1Renzeng Chen2Wenhao Yao3Wenying Wu4Teng Zhang5Liang Yu6Key Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Research Institute of Multidisciplinary Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaKey Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Research Institute of Multidisciplinary Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaKey Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Research Institute of Multidisciplinary Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaKey Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Research Institute of Multidisciplinary Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaKey Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Research Institute of Multidisciplinary Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaKey Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Research Institute of Multidisciplinary Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaKey Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Research Institute of Multidisciplinary Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaAmmonia borane (AB) has attracted much attention in the field of solid-state hydrogen storage due to its high hydrogen storage capacity. Nanoconfinement in UiO-66 can reduce the hydrogen release temperature. In particular, terephthalic acid was used as a linker to further improve the dehydrogenation properties through the modification of -NH<sub>2</sub>, -OH, -NO<sub>2</sub>, -Br, and -F groups. The hydrogen release content of 0.5AB/UiO-66 was 1.98 wt.%, whereas the hydrogen release content of UiO-66-2OH modified by -OH groups increased to 3.85 wt.%. The non-covalent interaction results show that -NH<sub>2</sub> and -OH preferred adsorption with -BH<sub>3</sub>, and the H in -NH<sub>2</sub> and -OH were able to interact directly with the H in AB to modify the dehydrogenation process of AB, whereas -NO<sub>2</sub>, -Br, and -F indirectly affected the charge density of hydrogen atoms in AB to alter the dehydrogenation property of AB. The modification of functional groups provides a theoretical basis for the design of high-performance MOF nanoconfinement AB composite hydrogen storage materials.https://www.mdpi.com/1420-3049/30/7/1487ammonia boranemetal–organic frameworksnanoconfinementdehydrogenationfunctional group |
| spellingShingle | Senliang Xi Dawei Xu Renzeng Chen Wenhao Yao Wenying Wu Teng Zhang Liang Yu Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane Molecules ammonia borane metal–organic frameworks nanoconfinement dehydrogenation functional group |
| title | Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane |
| title_full | Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane |
| title_fullStr | Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane |
| title_full_unstemmed | Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane |
| title_short | Effect of Functional Group-Modified UiO-66 on the Dehydrogenation of Ammonia Borane |
| title_sort | effect of functional group modified uio 66 on the dehydrogenation of ammonia borane |
| topic | ammonia borane metal–organic frameworks nanoconfinement dehydrogenation functional group |
| url | https://www.mdpi.com/1420-3049/30/7/1487 |
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