Probing adsorption sites of carbon dioxide in metal organic framework of [Zn(bdc)(dpds)]n: A molecular simulation study
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DOI: 10.1016/j.chemphys.2017.09.008
Abstract: Abstract We used force-field based grand-canonical Monte Carlo simulation method and density functional theory to study adsorption characteristics of carbon dioxide (CO2) molecules in a metal-organic framework (MOF) compound, [Zn(bdc)(dpds)]n. The studied MOF include a… read more here.
Keywords: adsorption; metal organic; carbon dioxide; dpds ... See more keywords