Predicting the structure configuration and Raman analysis of caffeine molecules encapsulated into single-walled carbon nanotubes: Evidence for charge transfer
Jamal Chenouf, Mourad Boutahir, J. Mejı́a-López, A. Rahmani, B. Fakrach, H. Chadli, Abdelali Rahmani
Topics & Concepts
Raman spectroscopyCarbon nanotubePolarizabilityMoleculeMaterials scienceBiomoleculeNanotechnologyChemical physicsDensity functional theoryComputational chemistryChemistryPhysicsOrganic chemistryOpticsCarbon Nanotubes in CompositesOrganic Electronics and PhotovoltaicsConducting polymers and applications