Computational study of 2N-atom functionalized corannulene by alkali metals doping: Towards the development of highly efficient nonlinear optical materials
Rabia Nazir, Junaid Yaqoob, Muhammad Usman Khan, Mazhar Amjad Gilani, Riaz Hussain, Muhammad Usman Alvi, Muhammad Rashid, Mohammed A. Assiri, Muhammad Imran
Topics & Concepts
Density functional theoryHyperpolarizabilityCorannuleneAtom (system on chip)DopingAlkali metalBand gapAtomic orbitalNonlinear opticalComputational chemistryChemistryCovalent bondDensity of statesMaterials scienceChemical physicsMoleculePhysicsNonlinear systemCondensed matter physicsOrganic chemistryOptoelectronicsQuantum mechanicsEmbedded systemElectronComputer scienceNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsFullerene Chemistry and Applications