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RESEARCH PAPER · ACS Applied Materials & Interfaces · 2011

Fluorinated and Nanoporous Graphene Materials As Sorbents for Gas Separations

Joshua Schrier

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Fluorinated and Nanoporous Graphene Materials As Sorbents for Gas SeparationsOriginalPorous graphene: Properties, preparation, and potential applications123Carbon Dioxide Separation with a Two-Dimensional Polymer Membrane142Effect of exfoliation temperature on carbon dioxide capture of graphene nanoplates75Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study139Photochemical Engineering of Graphene Oxide Nanosheets134Extending Hirshfeld‐I to bulk and periodic materials96Selective molecular sieving through porous graphene1183Mechanisms of Gas Permeation through Single Layer Graphene Membranes164Windowed Carbon Nanotubes for Efficient CO2 Removal from Natural Gas71Environmental applications using graphene composites: water remediation and gas adsorption530Graphene Membranes: Mechanics, Adhesion, and Gas Separations3Insights into CO2/N2 separation through nanoporous graphene from molecular dynamics171Graphene-based materials: Fabrication, characterization and application for the decontamination of wastewater and wastegas and hydrogen storage/generation354Halogenated Graphenes: Rapidly Growing Family of Graphene Derivatives397Permeance of H2 through porous graphene from molecular dynamics63Graphene0Quantum Mechanical Basis for Kinetic Diameters of Small Gaseous Molecules351Selectivity trend of gas separation through nanoporous graphene106Structuring adsorbents and catalysts by processing of porous powders362Tunable 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 Simulations133Enhanced Gas Adsorption on Graphitic Substrates via Defects and Local Curvature: A Density Functional Theory Study56Molecular simulation study on the adsorption and separation of acidic gases in a model nanoporous carbon34Fluorographene with High Fluorine/Carbon Ratio: A Nanofiller for Preparing Low-κ Polyimide Hybrid Films98Preparation of nanoporous graphene and the application of its nanocomposite membrane in propylene/propane separation4Graphene-based materials: Synthesis and gas sorption, storage and separation734An accurate benchmark description of the interactions between carbon dioxide and polyheterocyclic aromatic compounds containing nitrogen30Enhanced semiempirical QM methods for biomolecular interactions71H 2 purification by functionalized graphdiyne – role of nitrogen doping71Inhibition effect of a non-permeating component on gas permeability of nanoporous graphene membranes50Molecular dynamics simulation of trihalomethanes separation from water by functionalized nanoporous graphene under induced pressure75Enhancement on the permeation performance of polyimide mixed matrix membranes by incorporation of graphene oxide with different oxidation degrees50CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field234Expanded Porphyrins as Two-Dimensional Porous Membranes for CO2 Separation68Enhanced Performance of Polyurethane Hybrid Membranes for CO2 Separation by Incorporating Graphene Oxide: The Relationship between Membrane Performance and Morphology of Graphene Oxide58Efficient helium separation of graphitic carbon nitride membrane141Adsorption of CO 2 , CH 4 , and N 2 in Micro-Mesoporous Nanographene: A Comparative Study29Charge-modulated permeability and selectivity in graphdiyne for hydrogen purification29Tribological properties of fluorinated graphene reinforced polyimide composite coatings under different lubricated conditions107Exploration of nanoporous graphene membranes for the separation of N 2 from CO 2 : a multi-scale computational study62Numerical Simulation of Salt Water Passing Mechanism Through Nanoporous Single-Layer Graphene Membrane11The incorporation of graphene oxide into polysulfone mixed matrix membrane for CO2/CH4separation21Versatile two-dimensional stanene-based membrane for hydrogen purification17Efficient ethanol/water separation via functionalized nanoporous graphene membranes: insights from molecular dynamics study44Density functional analysis of gaseous molecules adsorbed on metal ion/defective nano-sheet graphene1Density functional theory study of CH4and CO2adsorption by fluorinated graphene29Effective removal of hydrogen sulfide using 4A molecular sieve zeolite synthesized from attapulgite1331.14 Graphene Membranes2Tuning the Surface Properties of Graphene Oxide by Surface-Initiated Polymerization of Epoxides: An Efficient Method for Enhancing Gas Separation59Molecular dynamics study on water desalination through functionalized nanoporous graphene248Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite64Functionalized graphene‐reinforced rubber composite: Mechanical and tribological behavior study22Computational Design of Porous Graphenes for Alkane Isomer Separation21The advent of graphene and other two-dimensional materials in membrane science and technology98Molecular Insights on the CH4/CO2 Separation in Nanoporous Graphene and Graphene Oxide Separation Platforms: Adsorbents versus Membranes54Chemistry, properties, and applications of fluorographene284Fundamental transport mechanisms, fabrication and potential applications of nanoporous atomically thin membranes824Fabrication, Pressure Testing, and Nanopore Formation of Single-Layer Graphene Membranes54Molecular Sieving Across Centimeter-Scale Single-Layer Nanoporous Graphene Membranes139Mechanism and Prediction of Gas Permeation through Sub-Nanometer Graphene Pores: Comparison of Theory and Simulation127Direct Synthesis of Large‐Area 2D Mo2C on In Situ Grown Graphene475Graphene2Carbon dioxide capture by planar (AlN)n clusters (n=3–5)2Behaviors of hydrogen sulfide removal using granular activated carbon and modified granular activated carbon8Carbon-Based Nanocomposite Membrane for Acidic Gas Separation4Rational Design of Two-Dimensional Hydrocarbon Polymer as Ultrathin-Film Nanoporous Membranes for Water Desalination37Single-layer graphene membranes by crack-free transfer for gas mixture separation234Mass Transport Across Atomically Thin Membranes1First-principles modeling of water permeation through periodically porous graphene derivatives19Continuously Tunable Pore Size for Gas Separation via a Bilayer Nanoporous Graphene Membrane46Fluorographenes for Energy and Sensing Application: The Amount of Fluorine Matters11Mo 2 C/graphene heterostructures: low temperature chemical vapor deposition on liquid bimetallic Sn–Cu and hydrogen evolution reaction electrocatalytic properties65Etching gas-sieving nanopores in single-layer graphene with an angstrom precision for high-performance gas mixture separation219Crystallization of gas-selective nanoporous graphene by competitive etching and growth: a modeling study14Graphene based adsorbents for remediation of noxious pollutants from wastewater524Permeation of Fullerenes through Graphynes: Theoretical Design of Nanomechanical Oscillators9Tribological behaviors of polyimide composite films enhanced with fluorographene48Dielectric and optical properties of porous graphenes with uniform pore structures3Graphenylene–1 membrane: An excellent candidate for hydrogen purification and helium separation52Ultrathin Membranes for Gas Separation2Molecular transport in ionic liquid/nanomembrane hybrids10Selective Etching of Graphene Membrane Nanopores: From Molecular Sieving to Extreme Permeance39Synergistic CO2‐Sieving from Polymer with Intrinsic Microporosity Masking Nanoporous Single‐Layer Graphene65A new approach to separate hydrogen from carbon dioxide using graphdiyne-like membrane25Electrodialysis based direct air dehumidification: A molecular dynamics study on moisture diffusion and separation through graphene oxide membrane17Polybenzimidazole copolymer derived lacey carbon film for graphene transfer and contamination removal strategies for imaging graphene nanopores16Dimension Controlled Polymeric Matrices and Graphene Filler-Based Nanofibres by Electrospinning0The frontiers of functionalized graphene-based nanocomposites as chemical sensors61Decimeter-Scale Atomically Thin Graphene Membranes for Gas–Liquid Separation23Efficient small toxic gaseous molecule scavengers in metal‐defective graphene: A density functional analysis0Separation of C1/C3 binary organic gas mixtures via flexible nanoporous carbon molecular sieves: DFT calculations and MD simulations3Graphene functionalized hybrid nanomaterials for industrial-scale applications: A systematic review65H2 and H2S separation by adsorption using graphene and zinc oxide sheets: Molecular dynamic simulations14Effects of element doping and H2O presence on CO2 adsorption using hexagonal boron nitride19Bottom-up synthesis of graphene films hosting atom-thick molecular-sieving apertures27Porous graphene membranes under small tensile strains exhibit higher percolation barriers to the passing molecules5Recent Advances in Fluorinated Graphene from Synthesis to Applications: Critical Review on Functional Chemistry and Structure Engineering233Gas Permeability and Selectivity of a Porous WS 2 Monolayer22H-passivated nanoporous graphene membranes for CO2/N2 separation: A reactive molecular dynamic simulation5Large-Area and Crack-free Helium-Sieving Graphene Membranes4Adsorption chemistry of co-doped graphene nanoribbon and its derivatives towards carbon based gases for gas sensing applications: Quantum DFT investigation78Two‐Dimensional‐Materials Membranes for Gas Separations2Porphyrin based channel for separation of proton isotope: A density functional theory study5Functionalized 2D membranes for separations at the 1-nm scale62In-Situ Fabrication of Poly (m-Phenylene Isophthalamide)/Fluorographene Nanocomposites and Their Properties0Enhancing CO2 adsorption capacity of hydroxypyridine-based ionic liquids using fluorinated graphene as carrier Material: A density functional theory study14Advances in MXene-based synaptic devices and sensors: Review21Versatile Landscape of Low- k Polyimide: Theories, Synthesis, Synergistic Properties, and Industrial Integration150Density functional theory studies the interaction of neopentane with functionalized porous graphene1Deformation-induced gas adsorption and self-desorption dynamics of a carbon nano-network: Molecular dynamics modeling focusing on CO2 capture1Proton permeation and selective separation of hydrogen isotopes through fullerene nanocages (X12Y12): A DFT insights1Unveiling the potential of HF and CO molecules adsorption on fluorographene as a gas sensor: DFT insights0Comprehensive insights into molecular simulation-driven advances in functional materials for pollutant mitigation12From Layered Crystals to Permselective Membranes: History, Fundamentals, and Opportunities23β-Silicon germanane nanosheets as potential sensors for greenhouse gases hexafluoroethane and nitrogen trifluoride based on first-principles study6

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  1. Porous graphene: Properties, preparation, and potential applications

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  2. Carbon Dioxide Separation with a Two-Dimensional Polymer Membrane

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  3. Effect of exfoliation temperature on carbon dioxide capture of graphene nanoplates

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  4. Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study

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  5. Photochemical Engineering of Graphene Oxide Nanosheets

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  6. Extending Hirshfeld‐I to bulk and periodic materials

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  7. Selective molecular sieving through porous graphene

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  8. Mechanisms of Gas Permeation through Single Layer Graphene Membranes

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  9. Windowed Carbon Nanotubes for Efficient CO2 Removal from Natural Gas

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  10. Environmental applications using graphene composites: water remediation and gas adsorption

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  12. Insights into CO2/N2 separation through nanoporous graphene from molecular dynamics

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  18. Selectivity trend of gas separation through nanoporous graphene

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  19. Structuring adsorbents and catalysts by processing of porous powders

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

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

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  22. Enhanced Gas Adsorption on Graphitic Substrates via Defects and Local Curvature: A Density Functional Theory Study

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  23. Molecular simulation study on the adsorption and separation of acidic gases in a model nanoporous carbon

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  24. Fluorographene with High Fluorine/Carbon Ratio: A Nanofiller for Preparing Low-κ Polyimide Hybrid Films

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  31. Molecular dynamics simulation of trihalomethanes separation from water by functionalized nanoporous graphene under induced pressure

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  41. Numerical Simulation of Salt Water Passing Mechanism Through Nanoporous Single-Layer Graphene Membrane

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