Probing the adsorption sites for CO2 in MIL-53(Al,Cr) and MIL-47(V) Metal Organic Framework materials by Density Functional Theory

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Naseem Ramsahye, Guillaume Maurin, Sandrine Bourrelly, P. L. Llewellyn, Thierry Loiseau, Christian Serre and Gerard Ferey

Journal of Physical Chemistry C, Vol.112

2008

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Title: Probing the adsorption sites for CO2 in MIL-53(Al,Cr) and MIL-47(V) Metal Organic Framework materials by Density Functional Theory
Creators - without role: Naseem Ramsahye - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Guillaume Maurin - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Sandrine Bourrelly - Université de Versailles Saint-Quentin-en-Yvelines
P. L. Llewellyn - Centre National de la Recherche Scientifique
Thierry Loiseau - Institut Charles Gerhardt Montpellier
Christian Serre - Institut Charles Gerhardt Montpellier
Gerard Ferey - Université de Versailles Saint-Quentin-en-Yvelines
Publication Details: Journal of Physical Chemistry C, Vol.112
Grant note: FP6-EU Specific Targeted Research Project “DeSANNS”: Advanced separation and storage of carbon dioxide : Design, Synthesis and Applications of Novel Nanoporous Sorbents, SES6-CT-2005-020133.
Identifiers: 9945407509311
Academic Unit: Institut Charles Gerhardt Montpellier - ICGM
Language: English
Resource Type: Journal article
Local Fields: hal-00290818