Assessment of density functional approximations for N2 and CO2 physisorption on benzene and graphene
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DOI: 10.1002/jcc.26945
Abstract: Experimental isotherms of N2 and CO2 on carbon‐based porous materials and models of the physisorption of gases on surfaces are used to obtain the pore size distribution (PSD). An accurate modelization of the physisorption of… read more here.
Keywords: graphene; physisorption; energy curves; benzene graphene ... See more keywords