Theoretical analysis of the uptake of CO, CO2, and NO2 on pristine and BN-doped carbon nanocones
Erwin García‐Hernández, A. Flores-López, M.A. García-Contreras, Luz Palomino‐Asencio, R. Catarino Centeno
Topics & Concepts
PhysisorptionChemisorptionAdsorptionDopingAb initioCarbon fibersMaterials scienceElectronic structureAb initio quantum chemistry methodsRange (aeronautics)Chemical physicsNanotechnologyComputational chemistryPhysical chemistryChemistryMoleculeOrganic chemistryOptoelectronicsComposite materialComposite numberGas Sensing Nanomaterials and SensorsCarbon Nanotubes in CompositesGraphene research and applications