DFT study on adsorption of formaldehyde on pure, Pd-doped, Si-doped single-walled carbon nanotube
Xi Zhou, Cuihua Zhao, Cuiting Chen, Jianhua Chen, Yuqiong Li
Topics & Concepts
Carbon nanotubeAdsorptionDopingMaterials scienceMoleculeDensity functional theoryHOMO/LUMOFormaldehydeChemical engineeringNanotechnologyPhysical chemistryComputational chemistryChemistryOrganic chemistryOptoelectronicsEngineeringCarbon Nanotubes in CompositesGas Sensing Nanomaterials and SensorsElectrochemical Analysis and Applications