Metal oxide adsorption on fullerene C<sub>60</sub> and its potential for adsorption of pollutant gases; density functional theory studies
Sanaz Haghgoo, Abdo‐Reza Nekoei
Abstract
Combinations of C<sub>60</sub> and metal oxides (MOx) are interesting, not only because they display the individual properties of C<sub>60</sub> and of MOx nanoparticles, but they may also exhibit synergetic properties that are advantageous for gas sensing applications.
Topics & Concepts
FullereneAdsorptionNatural bond orbitalMetalDensity functional theoryOxideSelectivityMOX fuelMaterials scienceFormaldehydeInorganic chemistryMoleculeComputational chemistryChemistryPhysical chemistryChemical physicsOrganic chemistryMetallurgyCatalysisUraniumFullerene Chemistry and ApplicationsGraphene research and applicationsCarbon Nanotubes in Composites