Enhancing the absorption of 1-chloro-1,2,2,2-tetrafluoroethane on carbon nanotubes: an ab initio study
Mohsen Doust Mohammadi, Hewa Y. Abdullah, George Biskos, Somnath Bhowmick
Topics & Concepts
Materials scienceCarbon nanotubeDensity functional theoryAb initiovan der Waals forceAdsorptionComputational chemistryDopantHOMO/LUMOMoleculeNanotubeChemical physicsValence (chemistry)DopingPhysical chemistryNanotechnologyOrganic chemistryChemistryOptoelectronicsBoron and Carbon Nanomaterials ResearchCarbon Nanotubes in CompositesGraphene research and applications