Probing the Structure, Stability and Hydrogen Adsorption of Lithium Functionalized Isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn) by Density Functional Theory

Li adsorption on isoreticular MOFs with metal Fe, Cu, Co, Ni and Zn was studied using density function theory. Li functionalization shows a considerable structural change associated with a volume change in isoreticular MOF-5 except for the Zn metal center. Hydrogen binding energies on Li functionali...

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Detalles Bibliográficos
Autores principales: Venkataramanan, Natarajan Sathiyamoorthy, Sahara, Ryoji, Mizuseki, Hiroshi, Kawazoe, Yoshiyuki
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2009
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2680636/
https://www.ncbi.nlm.nih.gov/pubmed/19468328
http://dx.doi.org/10.3390/ijms10041601

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2680636/
https://www.ncbi.nlm.nih.gov/pubmed/19468328
http://dx.doi.org/10.3390/ijms10041601

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