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A computational insight into the intrinsic, Si-decorated and vacancy-defected γ-graphyne nanoribbon towards adsorption of CO2 and O2 molecules

Mojdeh Golzani, Mohammad Poliki, Mozhgan Golzani, Azadeh Tadjarodi

2022Applied Surface Science23 citationsDOI

Topics & Concepts

GraphyneDensity functional theoryAdsorptionVacancy defectMaterials scienceSubstrate (aquarium)MoleculeAcetyleneAtom (system on chip)SiliconDesorptionDensity of statesChemical physicsComputational chemistryPhysical chemistryChemistryCrystallographyCondensed matter physicsOptoelectronicsOrganic chemistryEmbedded systemComputer sciencePhysicsOceanographyGeologyGraphene research and applicationsAdvanced Thermoelectric Materials and Devices2D Materials and Applications
A computational insight into the intrinsic, Si-decorated and vacancy-defected γ-graphyne nanoribbon towards adsorption of CO2 and O2 molecules | Litcius