Silver cluster doped graphyne (GY) with outstanding non-linear optical properties
Saba Zahid, Alvina Rasool, Ali Raza Ayub, Khurshid Ayub, Javed Iqbal, M.S. Al-Buriahi, Norah Alwadai, H.H. Somaily
Abstract
= 0.06 au). Focusing on harmony between the tiny Ag clusters and graphyne surface as well as their influences on NLO properties, graphyne doping using its two-unit cells (2GY) is found to be expedient for the development of future nanoscale devices.
Topics & Concepts
Density functional theoryHOMO/LUMOBand gapChemistryIonization energyDopingBasis setAtomic physicsAtomic orbitalIonizationMolecular physicsMaterials sciencePhysicsElectronComputational chemistryMoleculeOptoelectronicsOrganic chemistryQuantum mechanicsIonNonlinear Optical Materials ResearchNonlinear Optical Materials StudiesFullerene Chemistry and Applications