Structural modification and band gap engineering of carbon nano-onions via sulphur doping: Theoretical DFT study
Jakub Goclon, Barbara Bankiewicz, Dariusz Pogocki, Przemysław Kolek, Joanna Kisała, Krzysztof Winkler
Topics & Concepts
StoichiometryDensity functional theoryDopingSulfurBand gapDopantCrystallographyChemistryElectronic structureBinding energyCarbon fibersMaterials scienceComputational chemistryMolecular physicsAtomic physicsPhysical chemistryOrganic chemistryPhysicsComposite numberComposite materialOptoelectronicsGraphene research and applicationsMolecular Junctions and Nanostructures2D Materials and Applications