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RESEARCH PAPER · The Journal of Physical Chemistry C · 2012

Noble Gas Separation using PG-ESX (X = 1, 2, 3) Nanoporous Two-Dimensional Polymers

Anna M. Brockway, Joshua Schrier

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Noble Gas Separation using PG-ESX (X = 1, 2, 3) Nanoporous Two-Dimensional PolymersOriginalEnvironmental applications using graphene composites: water remediation and gas adsorption530Helium separation via porous silicene based ultimate membrane111Modelling carbon membranes for gas and isotope separation103Entropy-Driven Molecular Separations in 2D-Nanoporous Materials, with Application to High-Performance Paraffin/Olefin Membrane Separations28Tunable Hydrogen Separation in Porous Graphene Membrane: First-Principle and Molecular Dynamic Simulation180Fluorine-Modified Porous Graphene as Membrane for CO2/N2 Separation: Molecular Dynamic and First-Principles Simulations133Helium Isotope Enrichment by Resonant Tunneling through Nanoporous Graphene Bilayers36Graphdiyne based membranes: exceptional performances for helium separation applications53Noble gas encapsulation into carbon nanotubes: Predictions from analytical model and DFT studies21Graphdiyne Pores: “Ad Hoc” Openings for Helium Separation Applications102An accurate benchmark description of the interactions between carbon dioxide and polyheterocyclic aromatic compounds containing nitrogen30C 2 N: an excellent two-dimensional monolayer membrane for He separation185Side-functionalized two-dimensional polymers synthesized via on-surface Schiff-base coupling25Efficient helium separation of graphitic carbon nitride membrane141Hexagonal Boron Nitride with Designed Nanopores as a High-Efficiency Membrane for Separating Gaseous Hydrogen from Methane87Defect-Mediated Reduction in Barrier for Helium Tunneling through Functionalized Graphene Nanopores16Transmission of Helium Isotopes through Graphdiyne Pores: Tunneling versus Zero Point Energy Effects40Free-Standing Monolayer Two-Dimensional Supramolecular Organic Framework with Good Internal Order202Theoretical study of a tunable and strain-controlled nanoporous graphenylene membrane for multifunctional gas separation88Toward high permeability, selectivity and controllability of water desalination with FePc nanopores15Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation57Two-Dimensional Covalent Triazine Framework Membrane for Helium Separation and Hydrogen Purification148Polymer Nanomembranes0Graphene-like Poly(triazine imide) as N2-Selective Ultrathin Membrane for Postcombustion CO2 Capture27Gas diffusion on graphene surfaces57Efficient 3 He/ 4 He separation in a nanoporous graphenylene membrane15Energetics and diffusion of liquid water and hydrated ions through nanopores in graphene: ab initio molecular dynamics simulation18Towards understanding the salt-intercalation exfoliation of graphite into graphene85Molecular confinement of solid and gaseous phases of self-standing bulk nanoporous polymers inducing enhanced and unexpected physical properties41Theoretical investigation of gas separation in functionalized nanoporous graphene membranes96Graphene and graphene oxide membranes for gas separation applications144Fundamental transport mechanisms, fabrication and potential applications of nanoporous atomically thin membranes824Propylene/propane separation by porous graphene membrane: Molecular dynamic simulation and first-principle calculation34Gas Separation through Bilayer Silica, the Thinnest Possible Silica Membrane42Selective Permeation through One-Atom-Thick Nanoporous Carbon Membranes: Theory Reveals Excellent Design Strategies!36Rational Design of Two-Dimensional Hydrocarbon Polymer as Ultrathin-Film Nanoporous Membranes for Water Desalination37High-efficiency helium separation through g-C2O membrane: A theoretical study36Recent progress on fabrication methods of polymeric thin film gas separation membranes for CO2 capture308Theoretical design of a strain-controlled nanoporous CN membrane for helium separation28Computational discovery of nanoporous materials for energy- and environment-related applications32Molecular simulation for separation of ethylene and ethane by functionalised graphene membrane10Quantum Transmission of He Isotopes through Crown Ether-Embedded Graphene Nanomeshes: An Eckart Potential Approach9Ultrathin Membranes for Gas Separation2High-efficiency helium separation through an inorganic graphenylene membrane: a theoretical study39Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study16A comparison of the chemical bonding and reactivity of Si8H8O12 and Ge8H8O12: A theoretical study5H2 and H2S separation by adsorption using graphene and zinc oxide sheets: Molecular dynamic simulations14Density Functional Theory and Molecular Dynamics Simulations of Nanoporous Graphene Membranes for Hydrogen Separation24Efficient Helium and Helium Isotopes Separation by Phosphorus Carbide P2C3 Membrane8A windowed carbon nanotube membrane for CO 2 /CH 4 gas mixture penetration separation: insights from theoretical calculation8Impact of Sub-Grain Structure on Radiation Resistance in Additively Manufactured 316l Stainless Steels: An Atomic Insight into the Mechanism12Gas Separations using Nanoporous Atomically Thin Membranes: Recent Theoretical, Simulation, and Experimental Advances79Efficient separation of He/CH4 mixture by functionalized graphenylene membranes: A theoretical study16Highly efficient helium purification through a dual-membrane system: insights from molecular dynamics simulations3Nanoporous graphene in polymeric nanocomposite membranes for gas separation and water purification—standings and headways5Simulation Studies on Improved Separation of Helium and Helium Isotopes by Strain Modulated r-N-GY Monolayer Nanostructure3Energy Application of Graphene Based Membrane: Hydrogen Separation27Theoretical design of an effective He separation membrane based on nanoporous C9N4 monolayer11Recent membrane separation technology for noble gas recovery39High-efficient helium purification through a novel Si-PWN zeolite membrane: Insights from molecular simulations3Breaking the trade-off of permeability-selectivity: Strain-assisted T-C3N2 membranes for high-efficient helium separation and purification from gas mixture15Molecular dynamics study on transport process of membrane separation for carbon dioxide capture3Strain-induced geometric modulation of nanopores for enhanced hydrogen isotopologue separation via quantum sieving2Molecular Simulation and Experimental Study on Adsorptive Separation of the Ar/He Gas Mixture by Two Metal–Organic Frameworks at Room and Lower Temperatures4Comprehensive insights into molecular simulation-driven advances in functional materials for pollutant mitigation12Permeation selectivity of defected hexagonal boron nitrides sheets towards H20

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  2. Helium separation via porous silicene based ultimate membrane

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  3. Modelling carbon membranes for gas and isotope separation

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  4. Entropy-Driven Molecular Separations in 2D-Nanoporous Materials, with Application to High-Performance Paraffin/Olefin Membrane Separations

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  5. Tunable Hydrogen Separation in Porous Graphene Membrane: First-Principle and Molecular Dynamic Simulation

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  6. Fluorine-Modified Porous Graphene as Membrane for CO2/N2 Separation: Molecular Dynamic and First-Principles Simulations

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  7. Helium Isotope Enrichment by Resonant Tunneling through Nanoporous Graphene Bilayers

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  8. Graphdiyne based membranes: exceptional performances for helium separation applications

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  9. Noble gas encapsulation into carbon nanotubes: Predictions from analytical model and DFT studies

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  10. Graphdiyne Pores: “Ad Hoc” Openings for Helium Separation Applications

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  11. An accurate benchmark description of the interactions between carbon dioxide and polyheterocyclic aromatic compounds containing nitrogen

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  12. C 2 N: an excellent two-dimensional monolayer membrane for He separation

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  13. Side-functionalized two-dimensional polymers synthesized via on-surface Schiff-base coupling

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  14. Efficient helium separation of graphitic carbon nitride membrane

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  15. Hexagonal Boron Nitride with Designed Nanopores as a High-Efficiency Membrane for Separating Gaseous Hydrogen from Methane

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  16. Defect-Mediated Reduction in Barrier for Helium Tunneling through Functionalized Graphene Nanopores

    The Journal of Physical Chemistry C · 2015-08-24

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  17. Transmission of Helium Isotopes through Graphdiyne Pores: Tunneling versus Zero Point Energy Effects

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  18. Free-Standing Monolayer Two-Dimensional Supramolecular Organic Framework with Good Internal Order

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    Martin Pfeffermann, Renhao Dong⧫, Robert Graf, Wojciech Zajączkowski, Tatiana E. Gorelik, Wojciech Pisula, Akimitsu Narita, Kläus Müllen, Xinliang Feng

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  19. Theoretical study of a tunable and strain-controlled nanoporous graphenylene membrane for multifunctional gas separation

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  20. Toward high permeability, selectivity and controllability of water desalination with FePc nanopores

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  21. Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation

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  22. Two-Dimensional Covalent Triazine Framework Membrane for Helium Separation and Hydrogen Purification

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  23. Polymer Nanomembranes

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  24. Graphene-like Poly(triazine imide) as N2-Selective Ultrathin Membrane for Postcombustion CO2 Capture

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  25. Gas diffusion on graphene surfaces

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  26. Efficient 3 He/ 4 He separation in a nanoporous graphenylene membrane

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  31. Graphene and graphene oxide membranes for gas separation applications

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  37. High-efficiency helium separation through g-C2O membrane: A theoretical study

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  38. Recent progress on fabrication methods of polymeric thin film gas separation membranes for CO2 capture

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  40. Computational discovery of nanoporous materials for energy- and environment-related applications

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  41. Molecular simulation for separation of ethylene and ethane by functionalised graphene membrane

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  42. Quantum Transmission of He Isotopes through Crown Ether-Embedded Graphene Nanomeshes: An Eckart Potential Approach

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  45. Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study

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