The adsorption of NO2, SO2, and O3 molecules on the Al-doped stanene nanotube: a DFT study
Nafiseh Karimi, Jaber Jahanbin Sardroodi, Alireza Ebrahimzadeh Rastkar
Topics & Concepts
NanotubeAdsorptionDensity functional theoryMulliken population analysisDensity of statesChemisorptionDopingMaterials scienceCharge densityChemical physicsMolecular orbitalHOMO/LUMOBand gapMoleculeComputational chemistryNanotechnologyChemistryPhysical chemistryCarbon nanotubeOrganic chemistryCondensed matter physicsOptoelectronicsPhysicsQuantum mechanicsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices2D Materials and Applications