A DFT study of H2S adsorption and sensing on Ti, V, Cr and Sc doped graphene surfaces
Ömer Faruk Tunalı, Numan Yüksel, Gökhan Gece, Mehmet Ferdi Fellah
Topics & Concepts
AdsorptionGrapheneDensity functional theoryNanosheetMoleculeDopingChemistryHOMO/LUMOHydrogen sulfideBand gapReactivity (psychology)Binding energyPhysical chemistryComputational chemistryNanotechnologyMaterials scienceAtomic physicsSulfurOrganic chemistryPhysicsOptoelectronicsPathologyMedicineAlternative medicineGraphene research and applicationsGas Sensing Nanomaterials and Sensors2D Materials and Applications