Ab initio study of electronic and optical properties of penta-SiC2 and -SiGeC4 monolayers for solar energy conversion
I. Bouziani, Zakaryae Haman, Moussa Kibbou, Y. Benhouria, I. Essaoudi, A. Ainane, Rajeev Ahuja
Topics & Concepts
Density functional theoryMonolayerAb initioBand gapMaterials scienceSemiconductorAtomic orbitalElectronic structureIonic bondingMolecular physicsAbsorption (acoustics)Ab initio quantum chemistry methodsComputational chemistryCondensed matter physicsPhysicsOptoelectronicsChemistryNanotechnologyElectronMoleculeQuantum mechanicsComposite materialIon2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research