The effect of Fe doping on adsorption of CO2/N2 within carbon nanotubes: a density functional theory study with dispersion corrections (Nanotechnology)

Author(s): A J Du, C H Sun, Z H Zhu, G Q Lu, V Rudolph and Sean C SmithAffiliation(s): Centre for Computational Molecular Science, The University of Queensland, Australian Institute for Bioengineering and Nanotechnology (AIBN) Building 75, QLD 4072, Brisbane, Australia; ARC Centre for Functional Nanomaterials, The University of Queensland, Australian Institute for Bioengineering and Nanotechnology (AIBN) Building 75, QLD 4072, Brisbane, Australia; Division of Chemical Engineering, School of Engineering, The University of Queensland, QLD 4072, Brisbane, Australia