Litcius/Paper detail

Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors

Abrar U. Hassan, Sajjad Hussain Sumrra, Ghulam Mustafa, Muhammad Faizan Nazar, Muhammad Nadeem Zafar

2022Journal of Molecular Modeling34 citationsDOI

Topics & Concepts

Natural bond orbitalPolarizabilityDensity functional theoryOrganic solar cellIntramolecular forceHyperpolarizabilityIonization energyChemistryHOMO/LUMODelocalized electronMaterials scienceComputational chemistryPhotochemistryIonizationIonMoleculeStereochemistryOrganic chemistryPolymerOrganic Electronics and PhotovoltaicsNonlinear Optical Materials ResearchLuminescence and Fluorescent Materials