First-principles calculations to investigate the influence of porphyrin substitution on the structural, electronic and optical properties of graphene oxide
Abdelhafid Najim, Omar Bajjou, Mustapha Boulghallat, Mohammed Khenfouch, Khalid Rahmani, Younes Chrafih
Topics & Concepts
PorphyrinMaterials scienceGrapheneCASTEPDensity functional theoryOxideBand gapAbsorption (acoustics)Substitution (logic)CrystallinityPhotochemistryChemical physicsComputational chemistryNanotechnologyOptoelectronicsComposite materialChemistryComputer scienceMetallurgyProgramming languageGraphene research and applicationsQuantum Dots Synthesis And Properties2D Materials and Applications