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A remarkable two-dimensional membrane for multifunctional gas separation: halogenated metal-free fused-ring polyphthalocyanine

We theoretically explore the structural and mechanical properties of metal-free fused-ring polyphthalocyanine (H2PPc) and halogenated H2PPc (F-H2PPc and Cl-H2PPc) membranes, and the energy profiles for gaseous H2, CO, CH4, CO2 and N2 molecules adsorbing on and passing through these monolayers. Importantly, we recon

Authors:   Zhaoshun Meng; Yadong Zhang; Qi Shi; Yuzhen Liu; Aijun Du; Ruifeng Lu
Journal:   Physical Chemistry Chemical Physics
DOI:   10.1039/C8CP01648H
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  • gas separation
  • Energy
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