End-group engineering of non-fused benzothiadiazol derivatives with thiophene rings based small donor molecules for tuning the photovoltaic properties via DFT approach
Ehsan Ullah Rashid, Nabil Al‐Zaqri, Ahmed Boshaala, Ismail Warad, Javed Iqbal, Muhammad Ans, Muhammad Rizwan, Mahmoud A. A. Ibrahim, Rasheed Ahmad Khera
Topics & Concepts
ChemistryDensity functional theoryMoleculeBand gapOscillator strengthAbsorption (acoustics)AcceptorElectron mobilityThiopheneComputational chemistryOptoelectronicsMaterials scienceOrganic chemistryPhysicsCondensed matter physicsAstronomyComposite materialSpectral lineOrganic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures