Multiple CO2 capture in pristine and Sr-decorated graphyne: A DFT-D3 and AIMD study
Mohammad Hossein Darvishnejad, Adel Reisi‐Vanani
Topics & Concepts
GraphyneAdsorptionMaterials scienceAtom (system on chip)MoleculeStrontiumCarbon fibersRing (chemistry)Density functional theoryMolecular dynamicsCrystallographyChemical physicsPhysical chemistryChemistryComputational chemistryOrganic chemistryComputer scienceComposite materialComposite numberEmbedded systemMembrane Separation and Gas TransportCarbon Dioxide Capture TechnologiesGraphene research and applications