Litcius/Paper detail

Structure and electronic characterization of pristine and functionalized single wall carbon nanotube interacting with sulfide ion: A density functional theory approach

Sania Bibi, Sehrish Sarfaraz, Muhammad Yar, Muhammad Iqbal Zaman, Abdul Niaz, Ayesha Khan, Muhammad Alı Hashmı, Khurshid Ayub

2022Journal of Molecular Liquids19 citationsDOI

Topics & Concepts

Density functional theoryCarbon nanotubeMaterials scienceIonNatural bond orbitalSulfideComputational chemistryChemical physicsMulliken population analysisElectron affinity (data page)NanotechnologyChemistryMoleculeOrganic chemistryMetallurgyCarbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications
Structure and electronic characterization of pristine and functionalized single wall carbon nanotube interacting with sulfide ion: A density functional theory approach | Litcius