Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks
- Author
- Sander Borgmans (UGent) , Sven Rogge (UGent) , Juul De Vos (UGent) , Pascal Van Der Voort (UGent) and Veronique Van Speybroeck (UGent)
- Organization
- Project
-
- Model based synthesis of Covalent Organic Frameworks (COFs) for heterogeneous catalysis in flow.
- Model based synthesis of Covalent Organic Frameworks (COFs) for heterogeneous catalysis in flow.
- 3D strain fields for functional 4D material design: A unifying computational protocol to tune the phase stability of strain-engineered nanostructured materials
- High-throughput identification and synthesis of stable and crystalline covalent organic frameworks for carbon capture
- HPC-UGent: the central High Performance Computing infrastructure of Ghent University
- Abstract
- Soft porous crystals, which are responsive to external stimuli such as temperature, pressure, or gas adsorption, are being extensively investigated for various technological applications. However, while substantial research has been devoted to stimuli-responsive metal-organic frameworks, structural flexibility in 3D covalent organic frameworks (COFs) remains ill understood, and is almost exclusively found in COFs exhibiting the diamondoid (dia) topology. Herein, we systemically investigate how the structural decoration of these 3D dia COFs & mdash;their specific building blocks and degree of interpenetration & mdash;as well as external triggers such as temperature and guest adsorption may promote or suppress their phase transformations, as captured by a collection of 2D free energy landscapes. Together, these provide a comprehensive understanding of the necessary conditions to design flexible diamondoid COFs. This study reveals how their flexibility originates from the balance between steric hindrance and dispersive interactions of the structural decoration, thereby providing insight into how new flexible 3D COFs can be designed.
- Keywords
- DYNAMICS, CRYSTALLINE, ADSORPTION, NETWORKS, PRESSURE, QUICKFF, SOLIDS, PORES, CH4, CO2
Downloads
-
2023 - Borgmans - CommChem - 6 - 5.pdf
- full text (Published version)
- |
- open access
- |
- |
- 2.68 MB
Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-01GQZJRY3RJTZBFYHBF5MZ3NW0
- MLA
- Borgmans, Sander, et al. “Exploring the Phase Stability in Interpenetrated Diamondoid Covalent Organic Frameworks.” COMMUNICATIONS CHEMISTRY, vol. 6, no. 1, Nature Portfolio, 2023, doi:10.1038/s42004-022-00808-y.
- APA
- Borgmans, S., Rogge, S., De Vos, J., Van Der Voort, P., & Van Speybroeck, V. (2023). Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks. COMMUNICATIONS CHEMISTRY, 6(1). https://doi.org/10.1038/s42004-022-00808-y
- Chicago author-date
- Borgmans, Sander, Sven Rogge, Juul De Vos, Pascal Van Der Voort, and Veronique Van Speybroeck. 2023. “Exploring the Phase Stability in Interpenetrated Diamondoid Covalent Organic Frameworks.” COMMUNICATIONS CHEMISTRY 6 (1). https://doi.org/10.1038/s42004-022-00808-y.
- Chicago author-date (all authors)
- Borgmans, Sander, Sven Rogge, Juul De Vos, Pascal Van Der Voort, and Veronique Van Speybroeck. 2023. “Exploring the Phase Stability in Interpenetrated Diamondoid Covalent Organic Frameworks.” COMMUNICATIONS CHEMISTRY 6 (1). doi:10.1038/s42004-022-00808-y.
- Vancouver
- 1.Borgmans S, Rogge S, De Vos J, Van Der Voort P, Van Speybroeck V. Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks. COMMUNICATIONS CHEMISTRY. 2023;6(1).
- IEEE
- [1]S. Borgmans, S. Rogge, J. De Vos, P. Van Der Voort, and V. Van Speybroeck, “Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks,” COMMUNICATIONS CHEMISTRY, vol. 6, no. 1, 2023.
@article{01GQZJRY3RJTZBFYHBF5MZ3NW0,
abstract = {{Soft porous crystals, which are responsive to external stimuli such as temperature, pressure, or gas adsorption, are being extensively investigated for various technological applications. However, while substantial research has been devoted to stimuli-responsive metal-organic frameworks, structural flexibility in 3D covalent organic frameworks (COFs) remains ill understood, and is almost exclusively found in COFs exhibiting the diamondoid (dia) topology. Herein, we systemically investigate how the structural decoration of these 3D dia COFs & mdash;their specific building blocks and degree of interpenetration & mdash;as well as external triggers such as temperature and guest adsorption may promote or suppress their phase transformations, as captured by a collection of 2D free energy landscapes. Together, these provide a comprehensive understanding of the necessary conditions to design flexible diamondoid COFs. This study reveals how their flexibility originates from the balance between steric hindrance and dispersive interactions of the structural decoration, thereby providing insight into how new flexible 3D COFs can be designed.}},
articleno = {{5}},
author = {{Borgmans, Sander and Rogge, Sven and De Vos, Juul and Van Der Voort, Pascal and Van Speybroeck, Veronique}},
issn = {{2399-3669}},
journal = {{COMMUNICATIONS CHEMISTRY}},
keywords = {{DYNAMICS,CRYSTALLINE,ADSORPTION,NETWORKS,PRESSURE,QUICKFF,SOLIDS,PORES,CH4,CO2}},
language = {{eng}},
number = {{1}},
pages = {{9}},
publisher = {{Nature Portfolio}},
title = {{Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks}},
url = {{http://doi.org/10.1038/s42004-022-00808-y}},
volume = {{6}},
year = {{2023}},
}
- Altmetric
- View in Altmetric
- Web of Science
- Times cited: