DFT-D3 calculations of the charge-modulated CO2 capture of N/Sc-embedded graphyne: Compilation of some factors
Mohammad Hossein Darvishnejad, Adel Reisi‐Vanani
Topics & Concepts
PhysisorptionGraphyneAdsorptionDesorptionChemistryCharge (physics)Charge exchangeMaterials scienceIonComputational chemistryPhysical chemistryPhysicsDensity functional theoryOrganic chemistryQuantum mechanicsCarbon Dioxide Capture TechnologiesMembrane Separation and Gas TransportGraphene research and applications