DFT study of alkali and alkaline earth metal-doped benzocryptand with remarkable NLO properties
Nimra Maqsood, Areeba Asif, Khurshid Ayub, Javed Iqbal, Ashraf Y. Elnaggar, Gaber A. M. Mersal, Mohamed M. Ibrahim, Salah M. El‐Bahy
Abstract
). Thus, our results showed that alkali and alkaline earth metal-doped BC might be a competitor for efficient nonlinear optical properties with practical applications in the area of optoelectronics.
Topics & Concepts
Alkaline earth metalAlkali metalDopingInorganic chemistryMetalChemistryRare earthEarth (classical element)Materials scienceMineralogyOrganic chemistryPhysicsOptoelectronicsMathematical physicsNonlinear Optical Materials ResearchChemical synthesis and pharmacological studiesEnergetic Materials and Combustion