DFT study of the influence of impurities on the structural, electronic, optoelectronic, and nonlinear optical properties of graphene nanosheet functionalized by the carboxyl group –COOH
Crevain Souop Tala Foadin, Fridolin Tchangnwa Nya, Geh Wilson Ejuh, Alhadji Malloum, Jeanet Conradie, J.M.B. Ndjaka
Topics & Concepts
HyperpolarizabilityGrapheneDensity functional theoryBand gapBinding energyMaterials scienceNanosheetOxideAtom (system on chip)BoronNonlinear opticalComputational chemistryPhysical chemistryChemistryNanotechnologyMoleculeOptoelectronicsPolarizabilityAtomic physicsNonlinear systemPhysicsOrganic chemistryEmbedded systemMetallurgyQuantum mechanicsComputer scienceGraphene research and applicationsNonlinear Optical Materials ResearchNonlinear Optical Materials Studies