Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study
Mehdi Shakourian‐Fard, Hamid Reza Ghenaatian, Ganesh Kamath, S. Maryamdokht Taimoory
Topics & Concepts
AdsorptionDensity functional theoryGrapheneBinding energyHOMO/LUMODopingAbsorption (acoustics)Ionic bondingMaterials scienceBand gapDispersion (optics)Absorption spectroscopyNon-covalent interactionsIonic liquidMoleculeIonChemical physicsInorganic chemistryPhysical chemistryNanotechnologyChemistryComputational chemistryOrganic chemistryHydrogen bondAtomic physicsOptoelectronicsComposite materialQuantum mechanicsOpticsCatalysisPhysicsIonic liquids properties and applicationsQuantum Dots Synthesis And PropertiesSupercapacitor Materials and Fabrication