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CO(2) induced phase transitions in diamine-appended metal–organic frameworks

Using a combination of density functional theory and lattice models, we study the effect of CO(2) adsorption in an amine functionalized metal–organic framework. These materials exhibit a step in the adsorption isotherm indicative of a phase change. The pressure at which this step occurs is not only...

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Detalles Bibliográficos
Autores principales:	Vlaisavljevich, Bess, Odoh, Samuel O., Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, Smit, Berend
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2015
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5500831/ https://www.ncbi.nlm.nih.gov/pubmed/28717499 http://dx.doi.org/10.1039/c5sc01828e

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