CS2 adsorption on pristine and Al-doped graphynes: A DFT study
Changhong Zhang, Maryam Derakhshandeh
Topics & Concepts
GraphyneAdsorptionChemistryDopingNanosheetHOMO/LUMOBand gapMoleculeElectrical resistivity and conductivityConductivityPhysical chemistryComputational chemistryOrganic chemistryDensity functional theoryMaterials scienceOptoelectronicsPhysicsQuantum mechanicsGraphene research and applicationsGas Sensing Nanomaterials and Sensors2D Materials and Applications