Adsorption of a thione derivative on carbon, AlN, and BN nanotubes: a detailed DFT and MD investigation
Jamelah S. Al‐Otaibi, Muhammad Shabeer, Y. Sheena Mary, Y. Shyma Mary, Renjith Thomas
Topics & Concepts
HOMO/LUMOAdsorptionCarbon nanotubeNanotubeRaman spectroscopyMaterials scienceMolecular dynamicsChemistryComputational chemistryPhysical chemistryNanotechnologyOrganic chemistryMoleculeOpticsPhysicsBoron and Carbon Nanomaterials ResearchGraphene research and applicationsAdvancements in Battery Materials