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Hydrogen Permeation of Single Layer Graphene with Substitutional Metal Impurity Defects

https://doi.org/10.2139/ssrn.4670516
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DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene
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Atomic layer deposited boron nitride nanoscale films act as high temperature hydrogen barriers
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Impermeability of graphene and its applications
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Efficient hydrogen storage in boron doped graphene decorated by transition metals – A first-principles study
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Graphene multi-protonation: A cooperative mechanism for proton permeation
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Graphene synthesized by chemical vapor deposition as a hydrogen isotope permeation barrier
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Hydrogen dynamics on defective monolayer graphene
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A composite coating of GO-Al2O3 for tritium permeation barrier
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Study on the hydrogen storage properties of the dual active metals Ni and Al doped graphene composites
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Ab initio study of stability and migration of point defects in copper-graphene layered composite
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Theoretical investigations of hydrogen gas sensing and storage capacity of graphene-based materials: A review
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Helium selectivity of H-, B-, N-, and F- doped nanoporous graphene membranes in the presence of natural gas: A density functional theory study
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A DFT study of the enhanced hydrogen storage performance of the Li-decorated graphene nanoribbons
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Magnetic Moment Controlling Desorption Temperature in Hydrogen Storage: A Case of Zirconium-Doped Graphene as a High Capacity Hydrogen Storage Medium
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Hydrogenation Facilitates Proton Transfer through Two-Dimensional Honeycomb Crystals
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Improving Biogas Separation and Methane Storage with Multilayer Graphene Nanostructure via Layer Spacing Optimization and Lithium Doping: A Molecular Simulation Investigation
inferredcites →https://doi.org/10.1021/jp211930aopenalex-extracted
Asymmetrically Decorated, Doped Porous Graphene As an Effective Membrane for Hydrogen Isotope Separation
inferredcites →https://doi.org/10.1021/nl801457bopenalex-extracted
Impermeable Atomic Membranes from Graphene Sheets
inferredcites →https://doi.org/10.1038/nature14015openalex-extracted
Proton transport through one-atom-thick crystals
inferredcites →https://doi.org/10.1038/s41586-020-2070-xopenalex-extracted
Limits on gas impermeability of graphene
inferredcites →https://doi.org/10.1039/c3cp52318gopenalex-extracted
First principles study of the permeability of graphene to hydrogen atoms
inferredcites →https://doi.org/10.1039/c3ra44672gopenalex-extracted
First-principles study on ferromagnetism in W-doped graphene
inferredcites →https://doi.org/10.1039/c9ra04589aopenalex-extracted
Enhanced hydrogen storage performance of graphene nanoflakes doped with Cr atoms: a DFT study
inferredcites →https://doi.org/10.1039/d2ra01436jopenalex-extracted
Various defects in graphene: a review
inferredcites →https://doi.org/10.1063/1.1329672openalex-extracted
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1088/2053-1583/3/2/025004openalex-extracted
Proton and hydrogen transport through two-dimensional monolayers
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-extracted
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-extracted
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-extracted
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1126/science.1102896openalex-extracted
Electric Field Effect in Atomically Thin Carbon Films
inferredcites →https://doi.org/10.1126/science.1236686openalex-extracted
Ultrathin, Molecular-Sieving Graphene Oxide Membranes for Selective Hydrogen Separation
inferredcites →https://doi.org/10.1126/science.aac9726openalex-extracted
Sieving hydrogen isotopes through two-dimensional crystals
inferredcites →https://doi.org/10.1149/2162-8777/ab96aeopenalex-extracted
Communication—The Mechanism of Hydrogen Permeation Resistance of Ni Coating Enhanced by the Incorporation of Graphene
inferredcites →https://doi.org/10.3390/mi8050163openalex-extracted
A Review on Lattice Defects in Graphene: Types, Generation, Effects and Regulation
inferredcites →https://doi.org/10.3390/nano11102737openalex-extracted
MXene Coatings: Novel Hydrogen Permeation Barriers for Pipe Steels
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