Journal article
CO2 induced phase transitions in diamine-appended metal–organic frameworks
- Vlaisavljevich, Bess USA
- Odoh, Samuel O. USA
- Schnell, Sondre K. Department of Chemistry
- Dzubak, Allison L. USA
- Lee, Kyuho Department of Physics
- Planas, Nora USA
- Neaton, Jeffrey B. Department of Physics
- Gagliardi, Laura USA
- Smit, Berend ORCID Molecular Foundry
- 2015
Published in:
- Chemical Science. - Royal Society of Chemistry (RSC). - 2015, vol. 6, no. 9, p. 5177-5185
English
Using a combination of density functional theory and lattice models, we study the effect of CO2 adsorption in an amine functionalized metal–organic framework.
- Language
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- English
- Open access status
- gold
- Identifiers
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- DOI 10.1039/c5sc01828e
- ISSN 2041-6520
- Persistent URL
- https://sonar.ch/global/documents/251376
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